# Electronic Supplementary Material (ESI) for Sustainable Energy & Fuels.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_141218
_database_code_depnum_ccdc_archive 'CCDC 2173732'
loop_
_audit_author_name
_audit_author_address
'Tsubasa Hatanaka'
;Osaka University
Japan
;
_audit_update_record             
;
2022-05-19 deposited with the CCDC.	2022-08-08 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C166 H256 Al N8 O74'
_chemical_formula_moiety         'C166 H256 Al N8 O74'
_chemical_formula_weight         3574.84
_chemical_melting_point          ?
_chemical_absolute_configuration ad

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_Int_Tables_number      1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
#------------------------------------------------------------------------------
_cell_length_a                   16.9295(7)
_cell_length_b                   17.4527(8)
_cell_length_c                   17.6153(13)
_cell_angle_alpha                99.007(7)
_cell_angle_beta                 112.736(8)
_cell_angle_gamma                102.562(8)
_cell_volume                     4514.9(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    38206
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.49
_cell_measurement_temperature    173
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1913.00
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_T_max  0.973

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      173
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID 191R'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            44255
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             33572
_reflns_number_gt                24089
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0793
_refine_ls_wR_factor_ref         0.1885
_refine_ls_number_restraints     3
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         33572
_refine_ls_number_parameters     2280
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.380
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Al Al 0.0645 0.0514
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.94408(15) 0.32889(16) 0.84563(16) 0.0576(8) Uani 1.0 1 d . . .
O10 O 1.0018(3) 0.2567(3) 0.8915(3) 0.0369(11) Uani 1.0 1 d . . .
O11 O 0.8820(5) 0.4158(5) 0.7878(6) 0.095(3) Uani 1.0 1 d . . .
O58 O 1.3504(3) 0.5189(3) 1.4249(3) 0.0361(11) Uani 1.0 1 d . . .
O59 O 1.3075(3) 0.4395(3) 1.2880(3) 0.0314(10) Uani 1.0 1 d . . .
O60 O 1.2154(5) 0.3121(3) 1.3247(4) 0.0639(17) Uani 1.0 1 d . . .
O62 O 1.0879(4) 0.3898(3) 1.3519(3) 0.0399(11) Uani 1.0 1 d . . .
O64 O 1.3348(4) 0.6610(3) 1.5330(4) 0.0495(13) Uani 1.0 1 d . . .
O72 O 1.5041(3) 0.4601(3) 1.2407(3) 0.0317(10) Uani 1.0 1 d . . .
O73 O 1.4240(3) 0.4609(3) 1.0989(3) 0.0269(9) Uani 1.0 1 d . . .
O74 O 1.3420(4) 0.2918(3) 1.0550(3) 0.0366(11) Uani 1.0 1 d . . .
O76 O 1.2534(3) 0.2924(3) 1.1585(3) 0.0395(11) Uani 1.0 1 d . . .
O78 O 1.5353(4) 0.5047(3) 1.4149(3) 0.0406(11) Uani 1.0 1 d . . .
O86 O 1.5276(3) 0.6321(3) 1.0358(3) 0.0315(10) Uani 1.0 1 d . . .
O87 O 1.3917(3) 0.6128(3) 0.9166(3) 0.0262(9) Uani 1.0 1 d . . .
O88 O 1.4155(3) 0.4760(3) 0.8303(3) 0.0355(11) Uani 1.0 1 d . . .
O90 O 1.4473(3) 0.3846(3) 0.9546(3) 0.0274(9) Uani 1.0 1 d . . .
O92 O 1.6330(4) 0.6253(3) 1.2003(4) 0.0497(13) Uani 1.0 1 d . . .
O100 O 1.3351(3) 0.8049(3) 0.9170(3) 0.0327(10) Uani 1.0 1 d . . .
O101 O 1.1849(3) 0.7241(3) 0.8497(3) 0.0338(11) Uani 1.0 1 d . . .
O102 O 1.2002(3) 0.6998(3) 0.6913(3) 0.0405(11) Uani 1.0 1 d . . .
O104 O 1.3356(3) 0.6202(3) 0.7426(3) 0.0363(11) Uani 1.0 1 d . . .
O106 O 1.5216(4) 0.8180(3) 1.0173(3) 0.0466(13) Uani 1.0 1 d . . .
O114 O 1.0265(3) 0.8175(3) 0.8936(3) 0.0305(10) Uani 1.0 1 d . . .
O115 O 0.9734(3) 0.7101(3) 0.9423(3) 0.0314(10) Uani 1.0 1 d . . .
O116 O 0.8745(3) 0.6115(3) 0.7713(4) 0.0434(12) Uani 1.0 1 d . . .
O118 O 1.0124(4) 0.6218(3) 0.7200(3) 0.0390(11) Uani 1.0 1 d . . .
O120 O 1.1639(3) 0.9226(3) 0.8711(4) 0.0435(12) Uani 1.0 1 d . . .
O128 O 0.9611(4) 0.7848(3) 1.1438(4) 0.0456(13) Uani 1.0 1 d . . .
O129 O 0.9730(3) 0.6647(3) 1.1852(3) 0.0373(11) Uani 1.0 1 d . . .
O130 O 0.7943(4) 0.5843(4) 1.0686(4) 0.0596(16) Uani 1.0 1 d . . .
O133 O 0.8039(3) 0.6064(3) 0.9174(4) 0.0453(12) Uani 1.0 1 d . . .
O135 O 0.9849(5) 0.9039(4) 1.0539(4) 0.077(2) Uani 1.0 1 d . . .
O143 O 1.1571(3) 0.6982(3) 1.3953(3) 0.0351(10) Uani 1.0 1 d . . .
O144 O 1.1308(3) 0.5573(3) 1.3587(3) 0.0313(10) Uani 1.0 1 d . . .
O145 O 0.9882(3) 0.5394(3) 1.4110(3) 0.0400(11) Uani 1.0 1 d . . .
O147 O 0.8821(3) 0.6015(3) 1.2813(3) 0.0415(12) Uani 1.0 1 d . . .
O149 O 1.2411(4) 0.7771(3) 1.2976(4) 0.0526(14) Uani 1.0 1 d . . .
O157 O 0.6035(3) -0.1295(3) 0.8330(3) 0.0316(10) Uani 1.0 1 d . . .
O158 O 0.5659(3) -0.0092(3) 0.8193(3) 0.0274(9) Uani 1.0 1 d . . .
O159 O 0.6886(3) 0.0667(3) 0.9918(3) 0.0381(11) Uani 1.0 1 d . . .
O161 O 0.8457(3) 0.0470(3) 0.9816(3) 0.0352(11) Uani 1.0 1 d . . .
O163 O 0.7006(4) -0.2425(3) 0.8122(5) 0.0586(16) Uani 1.0 1 d . . .
O171 O 0.3553(3) -0.0373(3) 0.6330(3) 0.0324(10) Uani 1.0 1 d . . .
O172 O 0.4087(3) 0.1025(3) 0.6534(3) 0.0335(10) Uani 1.0 1 d . . .
O173 O 0.3419(3) 0.1244(3) 0.7830(3) 0.0327(10) Uani 1.0 1 d . . .
O175 O 0.4625(3) 0.0577(3) 0.8943(3) 0.0321(10) Uani 1.0 1 d . . .
O177 O 0.4641(4) -0.1478(3) 0.5814(4) 0.0476(13) Uani 1.0 1 d . . .
O185 O 0.3393(3) 0.1790(3) 0.4620(3) 0.0335(10) Uani 1.0 1 d . . .
O186 O 0.4855(3) 0.2501(3) 0.4898(3) 0.0320(10) Uani 1.0 1 d . . .
O187 O 0.4924(4) 0.3682(3) 0.6247(3) 0.0444(12) Uani 1.0 1 d . . .
O189 O 0.4361(3) 0.2732(3) 0.7177(3) 0.0342(10) Uani 1.0 1 d . . .
O191 O 0.2112(4) 0.0459(4) 0.4577(4) 0.0490(13) Uani 1.0 1 d . . .
O199 O 0.5079(3) 0.2406(3) 0.2881(3) 0.0319(10) Uani 1.0 1 d . . .
O200 O 0.6459(3) 0.2172(3) 0.3539(3) 0.0299(10) Uani 1.0 1 d . . .
O201 O 0.7248(4) 0.3891(3) 0.4351(5) 0.0614(17) Uani 1.0 1 d . . .
O203 O 0.6370(4) 0.3865(3) 0.5389(4) 0.0503(14) Uani 1.0 1 d . . .
O206 O 0.3497(4) 0.1108(4) 0.2328(4) 0.0643(17) Uani 1.0 1 d . . .
O214 O 0.6756(3) 0.0302(3) 0.2553(3) 0.0360(11) Uani 1.0 1 d . . .
O215 O 0.8040(3) 0.0519(3) 0.3825(3) 0.0305(10) Uani 1.0 1 d . . .
O216 O 0.9003(4) 0.1675(4) 0.3235(4) 0.0514(14) Uani 1.0 1 d . . .
O218 O 0.8030(3) 0.2788(3) 0.3295(3) 0.0382(11) Uani 1.0 1 d . . .
O220 O 0.5197(4) 0.0486(5) 0.1511(4) 0.0707(18) Uani 1.0 1 d . . .
O228 O 0.8098(3) -0.1315(3) 0.4604(3) 0.0328(10) Uani 1.0 1 d . . .
O229 O 0.8958(3) -0.0477(3) 0.5983(3) 0.0309(10) Uani 1.0 1 d . . .
O230 O 1.0502(3) -0.0239(3) 0.5638(3) 0.0362(11) Uani 1.0 1 d . . .
O232 O 0.9830(3) 0.0503(3) 0.4291(3) 0.0331(10) Uani 1.0 1 d . . .
O234 O 0.6303(4) -0.1631(3) 0.3943(4) 0.0501(13) Uani 1.0 1 d . . .
O242 O 0.8578(3) -0.1463(3) 0.7574(3) 0.0283(10) Uani 1.0 1 d . . .
O243 O 0.8111(3) -0.0430(3) 0.8132(3) 0.0261(9) Uani 1.0 1 d . . .
O244 O 0.9868(3) 0.0600(3) 0.8937(3) 0.0371(11) Uani 1.0 1 d . . .
O246 O 1.0353(3) 0.0554(3) 0.7577(3) 0.0336(10) Uani 1.0 1 d . . .
O248 O 0.8713(4) -0.2438(3) 0.6173(3) 0.0377(11) Uani 1.0 1 d . . .
O250 O 1.1753(5) 0.2679(6) 0.9058(5) 0.093(3) Uani 1.0 1 d . . .
O251 O 0.685(4) 0.355(3) 0.742(4) 0.148(16) Uiso 0.2500 1 d . . .
O252 O 0.8556(11) 0.4503(10) 0.6274(11) 0.148(5) Uiso 0.7500 1 d . . .
N2 N 0.8213(3) 0.2663(3) 0.8289(3) 0.0232(11) Uani 1.0 1 d . . .
N3 N 0.9624(3) 0.3982(3) 0.9573(3) 0.0258(11) Uani 1.0 1 d . . .
N4 N 1.0580(3) 0.4025(3) 0.8565(3) 0.0226(10) Uani 1.0 1 d . . .
N5 N 0.9117(3) 0.2775(3) 0.7239(3) 0.0237(11) Uani 1.0 1 d . . .
N6 N 0.6710(4) 0.3234(4) 1.1131(5) 0.0466(16) Uani 1.0 1 d . . .
N7 N 1.3250(4) 0.7103(4) 1.1754(4) 0.0442(15) Uani 1.0 1 d . . .
N8 N 1.2081(4) 0.3367(4) 0.5746(4) 0.0386(14) Uani 1.0 1 d . . .
N9 N 0.5585(4) -0.0243(4) 0.4811(5) 0.0469(16) Uani 1.0 1 d . . .
C12 C 0.7594(4) 0.2014(4) 0.7595(4) 0.0240(13) Uani 1.0 1 d . . .
C13 C 0.6863(4) 0.1645(4) 0.7777(5) 0.0304(14) Uani 1.0 1 d . . .
C14 C 0.7032(4) 0.2067(4) 0.8556(4) 0.0305(14) Uani 1.0 1 d . . .
C15 C 0.7862(4) 0.2707(4) 0.8874(4) 0.0281(14) Uani 1.0 1 d . . .
C16 C 0.8238(4) 0.3287(4) 0.9648(4) 0.0284(14) Uani 1.0 1 d . . .
C17 C 0.9062(4) 0.3898(4) 0.9969(4) 0.0279(13) Uani 1.0 1 d . . .
C18 C 0.9427(4) 0.4524(4) 1.0739(4) 0.0320(14) Uani 1.0 1 d . . .
C19 C 1.0212(5) 0.5001(4) 1.0825(4) 0.0321(14) Uani 1.0 1 d . . .
C20 C 1.0338(4) 0.4663(4) 1.0108(4) 0.0257(13) Uani 1.0 1 d . . .
C21 C 1.1092(4) 0.4982(4) 0.9978(4) 0.0255(13) Uani 1.0 1 d . . .
C22 C 1.1202(4) 0.4666(4) 0.9256(4) 0.0254(13) Uani 1.0 1 d . . .
C23 C 1.1991(4) 0.4953(4) 0.9127(4) 0.0286(14) Uani 1.0 1 d . . .
C24 C 1.1847(4) 0.4510(4) 0.8377(4) 0.0239(12) Uani 1.0 1 d . . .
C25 C 1.0964(4) 0.3937(4) 0.8009(4) 0.0225(12) Uani 1.0 1 d . . .
C26 C 1.0530(4) 0.3409(4) 0.7185(4) 0.0217(12) Uani 1.0 1 d . . .
C27 C 0.9644(4) 0.2894(4) 0.6812(4) 0.0230(12) Uani 1.0 1 d . . .
C28 C 0.9195(4) 0.2360(4) 0.5967(4) 0.0277(13) Uani 1.0 1 d . . .
C29 C 0.8400(4) 0.1907(4) 0.5873(4) 0.0288(13) Uani 1.0 1 d . . .
C30 C 0.8348(4) 0.2147(4) 0.6658(4) 0.0236(12) Uani 1.0 1 d . . .
C31 C 0.7637(4) 0.1778(4) 0.6836(4) 0.0240(12) Uani 1.0 1 d . . .
C32 C 0.7716(4) 0.3269(4) 1.0174(4) 0.0307(14) Uani 1.0 1 d . . .
C33 C 0.6946(5) 0.3494(4) 0.9915(5) 0.0347(15) Uani 1.0 1 d . . .
C34 C 0.6456(5) 0.3462(5) 1.0406(5) 0.0403(17) Uani 1.0 1 d . . .
C35 C 0.7471(5) 0.3029(5) 1.1377(5) 0.0413(17) Uani 1.0 1 d . . .
C36 C 0.7987(5) 0.3036(4) 1.0922(5) 0.0359(15) Uani 1.0 1 d . . .
C37 C 1.1818(4) 0.5713(4) 1.0614(4) 0.0247(13) Uani 1.0 1 d . . .
C38 C 1.1950(6) 0.6451(5) 1.0422(5) 0.049(2) Uani 1.0 1 d . . .
C39 C 1.2669(6) 0.7117(5) 1.1014(5) 0.053(2) Uani 1.0 1 d . . .
C40 C 1.3099(5) 0.6394(5) 1.1955(5) 0.0457(18) Uani 1.0 1 d . . .
C41 C 1.2400(5) 0.5697(4) 1.1416(5) 0.0388(16) Uani 1.0 1 d . . .
C42 C 1.1053(4) 0.3398(4) 0.6670(4) 0.0227(12) Uani 1.0 1 d . . .
C43 C 1.1813(4) 0.3134(4) 0.6943(4) 0.0276(13) Uani 1.0 1 d . . .
C44 C 1.2308(5) 0.3140(4) 0.6477(5) 0.0371(16) Uani 1.0 1 d . . .
C45 C 1.1344(5) 0.3610(4) 0.5485(4) 0.0344(15) Uani 1.0 1 d . . .
C46 C 1.0827(4) 0.3643(4) 0.5920(4) 0.0265(13) Uani 1.0 1 d . . .
C47 C 0.6896(4) 0.1074(4) 0.6145(4) 0.0245(13) Uani 1.0 1 d . . .
C48 C 0.6874(5) 0.0290(4) 0.6167(5) 0.0423(18) Uani 1.0 1 d . . .
C49 C 0.6221(5) -0.0345(5) 0.5504(6) 0.054(3) Uani 1.0 1 d . . .
C50 C 0.5597(5) 0.0510(5) 0.4812(5) 0.0474(19) Uani 1.0 1 d . . .
C51 C 0.6229(5) 0.1179(5) 0.5461(5) 0.0440(18) Uani 1.0 1 d . . .
C52 C 1.3217(5) 0.4397(4) 1.3725(5) 0.0374(16) Uani 1.0 1 d . . .
C53 C 1.2377(5) 0.3922(4) 1.3745(5) 0.0374(16) Uani 1.0 1 d . . .
C54 C 1.1648(5) 0.4336(4) 1.3436(4) 0.0344(15) Uani 1.0 1 d . . .
C55 C 1.1995(4) 0.5209(4) 1.3958(4) 0.0291(14) Uani 1.0 1 d . . .
C56 C 1.2875(4) 0.5638(4) 1.3954(4) 0.0303(14) Uani 1.0 1 d . . .
C57 C 1.3325(5) 0.6504(4) 1.4504(5) 0.0385(16) Uani 1.0 1 d . . .
C61 C 1.1751(6) 0.2489(5) 1.3494(7) 0.070(3) Uani 1.0 1 d . . .
C63 C 1.0064(6) 0.3664(5) 1.2769(5) 0.0498(19) Uani 1.0 1 d . . .
C65 C 1.4140(6) 0.6536(5) 1.5957(5) 0.0501(19) Uani 1.0 1 d . . .
C66 C 1.4611(5) 0.4138(4) 1.1539(4) 0.0273(13) Uani 1.0 1 d . . .
C67 C 1.3867(5) 0.3398(4) 1.1412(4) 0.0293(14) Uani 1.0 1 d . . .
C68 C 1.3180(5) 0.3639(4) 1.1681(4) 0.0289(13) Uani 1.0 1 d . . .
C69 C 1.3694(5) 0.4147(4) 1.2601(4) 0.0316(15) Uani 1.0 1 d . . .
C70 C 1.4426(5) 0.4884(4) 1.2681(4) 0.0313(14) Uani 1.0 1 d . . .
C71 C 1.4979(5) 0.5463(4) 1.3549(4) 0.0346(15) Uani 1.0 1 d . . .
C75 C 1.3654(9) 0.2201(6) 1.0428(7) 0.080(4) Uani 1.0 1 d . . .
C77 C 1.1637(5) 0.2965(6) 1.1244(6) 0.053(2) Uani 1.0 1 d . . .
C79 C 1.5903(6) 0.5583(5) 1.4969(5) 0.052(2) Uani 1.0 1 d . . .
C80 C 1.4780(4) 0.6029(4) 0.9462(4) 0.0274(13) Uani 1.0 1 d . . .
C81 C 1.4696(4) 0.5120(4) 0.9181(4) 0.0259(13) Uani 1.0 1 d . . .
C82 C 1.4325(4) 0.4617(4) 0.9669(4) 0.0265(13) Uani 1.0 1 d . . .
C83 C 1.4779(4) 0.5012(4) 1.0624(4) 0.0266(13) Uani 1.0 1 d . . .
C84 C 1.4870(4) 0.5916(4) 1.0834(4) 0.0278(13) Uani 1.0 1 d . . .
C85 C 1.5472(5) 0.6354(4) 1.1767(5) 0.0346(15) Uani 1.0 1 d . . .
C89 C 1.4587(6) 0.4933(5) 0.7783(6) 0.0489(19) Uani 1.0 1 d . . .
C91 C 1.3729(5) 0.3211(4) 0.8876(5) 0.0334(15) Uani 1.0 1 d . . .
C93 C 1.6924(7) 0.6622(7) 1.2867(6) 0.075(3) Uani 1.0 1 d . . .
C94 C 1.2556(5) 0.7751(4) 0.8397(5) 0.0311(14) Uani 1.0 1 d . . .
C95 C 1.2768(5) 0.7289(4) 0.7732(4) 0.0318(14) Uani 1.0 1 d . . .
C96 C 1.3039(4) 0.6563(4) 0.7984(4) 0.0280(13) Uani 1.0 1 d . . .
C97 C 1.3820(4) 0.6840(4) 0.8882(4) 0.0256(13) Uani 1.0 1 d . . .
C98 C 1.3654(4) 0.7411(4) 0.9517(4) 0.0265(13) Uani 1.0 1 d . . .
C99 C 1.4483(5) 0.7832(4) 1.0343(5) 0.0361(16) Uani 1.0 1 d . . .
C103 C 1.1868(7) 0.7594(6) 0.6460(6) 0.069(3) Uani 1.0 1 d . . .
C105 C 1.2710(6) 0.5487(5) 0.6780(5) 0.0494(19) Uani 1.0 1 d . . .
C107 C 1.6029(6) 0.8463(5) 1.0931(6) 0.067(3) Uani 1.0 1 d . . .
C108 C 0.9553(4) 0.7460(4) 0.8732(5) 0.0306(14) Uani 1.0 1 d . . .
C109 C 0.9422(5) 0.6863(4) 0.7932(5) 0.0334(15) Uani 1.0 1 d . . .
C110 C 1.0286(4) 0.6680(4) 0.8009(5) 0.0300(14) Uani 1.0 1 d . . .
C111 C 1.1045(5) 0.7462(4) 0.8305(5) 0.0306(14) Uani 1.0 1 d . . .
C112 C 1.1102(4) 0.8026(4) 0.9097(5) 0.0304(14) Uani 1.0 1 d . . .
C113 C 1.1807(5) 0.8858(4) 0.9401(5) 0.0368(16) Uani 1.0 1 d . . .
C117 C 0.7863(5) 0.6153(6) 0.7305(6) 0.058(3) Uani 1.0 1 d . . .
C119 C 1.0298(12) 0.5498(6) 0.7159(7) 0.118(6) Uani 1.0 1 d . . .
C121 C 1.2294(6) 0.9990(5) 0.8941(8) 0.070(3) Uani 1.0 1 d . . .
C122 C 0.9154(5) 0.7110(5) 1.1512(5) 0.0428(18) Uani 1.0 1 d . . .
C123 C 0.8407(5) 0.6597(5) 1.0639(5) 0.0421(18) Uani 1.0 1 d . . .
C124 C 0.8770(5) 0.6449(5) 0.9988(5) 0.0368(16) Uani 1.0 1 d . . .
C125 C 0.9291(5) 0.7256(4) 0.9954(5) 0.0338(15) Uani 1.0 1 d . . .
C126 C 1.0007(5) 0.7763(5) 1.0849(5) 0.0405(17) Uani 1.0 1 d . . .
C127 C 1.0463(6) 0.8612(5) 1.0886(6) 0.056(2) Uani 1.0 1 d . . .
C131 C 0.7069(12) 0.5611(12) 1.0466(13) 0.057(5) Uiso 0.5000 1 d . . .
C132 C 0.7143(14) 0.5985(14) 1.0813(15) 0.070(6) Uiso 0.5000 1 d . . .
C134 C 0.7889(8) 0.5222(5) 0.8893(7) 0.080(4) Uani 1.0 1 d . . .
C136 C 0.9766(11) 0.9550(8) 1.1131(11) 0.145(7) Uani 1.0 1 d . . .
C137 C 1.1252(5) 0.6243(4) 1.4119(4) 0.0309(14) Uani 1.0 1 d . . .
C138 C 1.0260(5) 0.6101(4) 1.3918(5) 0.0349(15) Uani 1.0 1 d . . .
C139 C 0.9720(4) 0.6051(4) 1.2990(5) 0.0319(14) Uani 1.0 1 d . . .
C140 C 1.0133(5) 0.6799(4) 1.2754(5) 0.0347(15) Uani 1.0 1 d . . .
C141 C 1.1148(5) 0.6976(4) 1.3073(5) 0.0351(15) Uani 1.0 1 d . . .
C142 C 1.1597(5) 0.7781(4) 1.3003(5) 0.0394(16) Uani 1.0 1 d . . .
C146 C 1.0183(6) 0.5471(6) 1.5002(5) 0.054(2) Uani 1.0 1 d . . .
C148 C 0.8207(5) 0.5200(5) 1.2418(6) 0.053(2) Uani 1.0 1 d . . .
C150 C 1.2877(6) 0.8514(5) 1.2904(6) 0.053(2) Uani 1.0 1 d . . .
C151 C 0.5961(4) -0.0568(4) 0.8748(4) 0.0279(13) Uani 1.0 1 d . . .
C152 C 0.6889(5) -0.0076(4) 0.9455(4) 0.0320(14) Uani 1.0 1 d . . .
C153 C 0.7584(4) 0.0122(4) 0.9109(4) 0.0288(13) Uani 1.0 1 d . . .
C154 C 0.7587(4) -0.0651(4) 0.8587(4) 0.0269(13) Uani 1.0 1 d . . .
C155 C 0.6636(4) -0.1170(4) 0.7937(4) 0.0288(13) Uani 1.0 1 d . . .
C156 C 0.6597(5) -0.2016(4) 0.7518(6) 0.0442(18) Uani 1.0 1 d . . .
C160 C 0.6574(6) 0.0551(6) 1.0544(5) 0.054(2) Uani 1.0 1 d . . .
C162 C 0.8793(5) 0.1320(4) 0.9990(6) 0.050(2) Uani 1.0 1 d . . .
C164 C 0.6422(8) -0.2933(8) 0.8355(11) 0.108(5) Uani 1.0 1 d . . .
C165 C 0.3451(4) 0.0391(4) 0.6584(4) 0.0297(14) Uani 1.0 1 d . . .
C166 C 0.3561(4) 0.0512(4) 0.7508(4) 0.0296(14) Uani 1.0 1 d . . .
C167 C 0.4512(4) 0.0537(4) 0.8092(4) 0.0232(12) Uani 1.0 1 d . . .
C168 C 0.4711(4) -0.0229(4) 0.7769(4) 0.0268(13) Uani 1.0 1 d . . .
C169 C 0.4432(4) -0.0442(4) 0.6810(4) 0.0275(13) Uani 1.0 1 d . . .
C170 C 0.4383(5) -0.1321(4) 0.6485(5) 0.0398(16) Uani 1.0 1 d . . .
C174 C 0.2518(5) 0.1255(5) 0.7439(5) 0.0408(17) Uani 1.0 1 d . . .
C176 C 0.5046(5) 0.1377(5) 0.9494(5) 0.0429(17) Uani 1.0 1 d . . .
C178 C 0.4002(6) -0.1436(5) 0.5043(6) 0.051(2) Uani 1.0 1 d . . .
C179 C 0.4045(5) 0.2555(4) 0.4928(5) 0.0344(15) Uani 1.0 1 d . . .
C180 C 0.4204(5) 0.2945(4) 0.5837(5) 0.0344(15) Uani 1.0 1 d . . .
C181 C 0.4420(5) 0.2391(4) 0.6420(4) 0.0304(14) Uani 1.0 1 d . . .
C182 C 0.3738(5) 0.1540(4) 0.5995(4) 0.0289(14) Uani 1.0 1 d . . .
C183 C 0.3648(5) 0.1224(4) 0.5111(5) 0.0344(15) Uani 1.0 1 d . . .
C184 C 0.2950(5) 0.0420(4) 0.4613(5) 0.0376(16) Uani 1.0 1 d . . .
C188 C 0.4751(7) 0.4325(5) 0.5869(5) 0.053(2) Uani 1.0 1 d . . .
C190 C 0.5170(5) 0.2990(5) 0.7924(5) 0.0442(17) Uani 1.0 1 d . . .
C192 C 0.1407(7) -0.0199(8) 0.4010(9) 0.105(5) Uani 1.0 1 d . . .
C193 C 0.6029(4) 0.2736(4) 0.3237(5) 0.0322(15) Uani 1.0 1 d . . .
C194 C 0.6319(5) 0.3480(4) 0.3993(5) 0.0401(17) Uani 1.0 1 d . . .
C195 C 0.6085(5) 0.3199(4) 0.4674(5) 0.0339(15) Uani 1.0 1 d . . .
C196 C 0.5080(5) 0.2816(4) 0.4280(4) 0.0302(14) Uani 1.0 1 d . . .
C197 C 0.4744(4) 0.2120(4) 0.3452(4) 0.0311(14) Uani 1.0 1 d . . .
C198 C 0.3734(5) 0.1817(5) 0.2960(5) 0.0370(16) Uani 1.0 1 d . . .
C202 C 0.7463(8) 0.4537(7) 0.4039(11) 0.111(5) Uani 1.0 1 d . . .
C204 C 0.6738(9) 0.3635(8) 0.6244(9) 0.069(4) Uiso 0.7500 1 d . . .
C205 C 0.7178(17) 0.3905(15) 0.6081(17) 0.031(6) Uiso 0.2500 1 d . . .
C207 C 0.2553(6) 0.0799(7) 0.1844(8) 0.089(4) Uani 1.0 1 d . . .
C208 C 0.7699(5) 0.0548(5) 0.2960(4) 0.0344(15) Uani 1.0 1 d . . .
C209 C 0.8053(4) 0.1404(5) 0.2902(5) 0.0351(15) Uani 1.0 1 d . . .
C210 C 0.7757(4) 0.1995(4) 0.3390(4) 0.0310(14) Uani 1.0 1 d . . .
C211 C 0.6736(4) 0.1719(4) 0.2997(4) 0.0268(13) Uani 1.0 1 d . . .
C212 C 0.6350(4) 0.0813(4) 0.2914(4) 0.0285(13) Uani 1.0 1 d . . .
C213 C 0.5352(5) 0.0467(5) 0.2342(5) 0.0388(16) Uani 1.0 1 d . . .
C217 C 0.9313(7) 0.1302(7) 0.2667(8) 0.080(4) Uani 1.0 1 d . . .
C219 C 0.8812(5) 0.3317(5) 0.4021(5) 0.0441(18) Uani 1.0 1 d . . .
C221 C 0.4286(7) 0.0152(7) 0.0936(7) 0.089(4) Uani 1.0 1 d . . .
C222 C 0.8959(4) -0.1005(4) 0.5290(4) 0.0279(13) Uani 1.0 1 d . . .
C223 C 0.9607(4) -0.0548(4) 0.4994(4) 0.0282(13) Uani 1.0 1 d . . .
C224 C 0.9313(4) 0.0148(4) 0.4678(4) 0.0281(13) Uani 1.0 1 d . . .
C225 C 0.8326(4) -0.0177(4) 0.4006(4) 0.0292(14) Uani 1.0 1 d . . .
C226 C 0.7723(4) -0.0684(4) 0.4321(5) 0.0312(14) Uani 1.0 1 d . . .
C227 C 0.6776(5) -0.1115(5) 0.3615(5) 0.0417(17) Uani 1.0 1 d . . .
C231 C 1.0906(6) -0.0846(5) 0.5843(6) 0.058(3) Uani 1.0 1 d . . .
C233 C 1.0515(5) 0.1248(4) 0.4819(5) 0.0424(18) Uani 1.0 1 d . . .
C235 C 0.5362(5) -0.1906(6) 0.3410(7) 0.065(3) Uani 1.0 1 d . . .
C236 C 0.8828(4) -0.0761(4) 0.8253(4) 0.0244(13) Uani 1.0 1 d . . .
C237 C 0.9641(4) -0.0128(4) 0.8320(4) 0.0292(14) Uani 1.0 1 d . . .
C238 C 0.9495(4) 0.0055(4) 0.7467(4) 0.0276(13) Uani 1.0 1 d . . .
C239 C 0.9168(4) -0.0717(4) 0.6766(4) 0.0269(13) Uani 1.0 1 d . . .
C240 C 0.8347(4) -0.1307(4) 0.6755(4) 0.0278(13) Uani 1.0 1 d . . .
C241 C 0.7984(5) -0.2121(4) 0.6094(5) 0.0334(15) Uani 1.0 1 d . . .
C245 C 1.0608(8) 0.0752(7) 0.9670(8) 0.109(5) Uani 1.0 1 d . . .
C247 C 1.0306(5) 0.1229(4) 0.7225(5) 0.0366(16) Uani 1.0 1 d . . .
C249 C 0.8470(6) -0.3152(5) 0.5515(7) 0.059(3) Uani 1.0 1 d . . .
H10A H 1.2328 0.7712 0.6251 0.0828 Uiso 1.0 1 calc R . .
H10B H 1.1913 0.8092 0.6840 0.0828 Uiso 1.0 1 calc R . .
H10C H 1.1271 0.7390 0.5975 0.0828 Uiso 1.0 1 calc R . .
H10D H 1.2965 0.5289 0.6403 0.0593 Uiso 1.0 1 calc R . .
H10E H 1.2167 0.5619 0.6444 0.0593 Uiso 1.0 1 calc R . .
H10F H 1.2555 0.5064 0.7049 0.0593 Uiso 1.0 1 calc R . .
H10G H 1.6103 0.8023 1.1210 0.0802 Uiso 1.0 1 calc R . .
H10H H 1.6013 0.8923 1.1317 0.0802 Uiso 1.0 1 calc R . .
H10I H 1.6535 0.8640 1.0792 0.0802 Uiso 1.0 1 calc R . .
H11A H 1.1777 0.9208 0.9883 0.0441 Uiso 1.0 1 calc R . .
H11B H 1.2416 0.8794 0.9602 0.0441 Uiso 1.0 1 calc R . .
H11C H 0.7739 0.6207 0.6728 0.0690 Uiso 1.0 1 calc R . .
H11D H 0.7799 0.6625 0.7633 0.0690 Uiso 1.0 1 calc R . .
H11E H 0.7436 0.5654 0.7271 0.0690 Uiso 1.0 1 calc R . .
H11F H 1.0352 0.5334 0.7680 0.1415 Uiso 1.0 1 calc R . .
H11G H 1.0862 0.5554 0.7107 0.1415 Uiso 1.0 1 calc R . .
H11H H 0.9806 0.5084 0.6661 0.1415 Uiso 1.0 1 calc R . .
H12A H 1.2884 0.9910 0.9074 0.0839 Uiso 1.0 1 calc R . .
H12B H 1.2319 1.0348 0.9443 0.0839 Uiso 1.0 1 calc R . .
H12C H 1.2132 1.0240 0.8464 0.0839 Uiso 1.0 1 calc R . .
H12D H 1.0872 0.8912 1.1489 0.0678 Uiso 1.0 1 calc R . .
H12E H 1.0833 0.8593 1.0569 0.0678 Uiso 1.0 1 calc R . .
H13 H 0.6355 0.1188 0.7413 0.0365 Uiso 1.0 1 calc R . .
H13A H 0.7802 0.4956 0.9317 0.0958 Uiso 1.0 1 calc R . .
H13B H 0.8409 0.5131 0.8820 0.0958 Uiso 1.0 1 calc R . .
H13C H 0.7351 0.4994 0.8346 0.0958 Uiso 1.0 1 calc R . .
H13D H 1.0287 1.0041 1.1390 0.1735 Uiso 1.0 1 calc R . .
H13E H 0.9732 0.9284 1.1573 0.1735 Uiso 1.0 1 calc R . .
H13F H 0.9216 0.9699 1.0865 0.1735 Uiso 1.0 1 calc R . .
H14 H 0.6666 0.1960 0.8846 0.0366 Uiso 1.0 1 calc R . .
H14A H 1.1200 0.7894 1.2478 0.0472 Uiso 1.0 1 calc R . .
H14B H 1.1712 0.8217 1.3500 0.0472 Uiso 1.0 1 calc R . .
H14C H 1.0199 0.6007 1.5287 0.0646 Uiso 1.0 1 calc R . .
H14D H 1.0788 0.5413 1.5242 0.0646 Uiso 1.0 1 calc R . .
H14E H 0.9771 0.5044 1.5091 0.0646 Uiso 1.0 1 calc R . .
H14F H 0.8438 0.4835 1.2755 0.0632 Uiso 1.0 1 calc R . .
H14G H 0.8146 0.5015 1.1838 0.0632 Uiso 1.0 1 calc R . .
H14H H 0.7618 0.5197 1.2393 0.0632 Uiso 1.0 1 calc R . .
H15A H 1.3008 0.8958 1.3393 0.0630 Uiso 1.0 1 calc R . .
H15B H 1.2505 0.8625 1.2374 0.0630 Uiso 1.0 1 calc R . .
H15C H 1.3442 0.8474 1.2895 0.0630 Uiso 1.0 1 calc R . .
H15D H 0.5961 -0.2343 0.7157 0.0530 Uiso 1.0 1 calc R . .
H15E H 0.6904 -0.1970 0.7141 0.0530 Uiso 1.0 1 calc R . .
H16A H 0.6979 0.0338 1.0964 0.0651 Uiso 1.0 1 calc R . .
H16B H 0.5967 0.0162 1.0269 0.0651 Uiso 1.0 1 calc R . .
H16C H 0.6561 0.1073 1.0832 0.0651 Uiso 1.0 1 calc R . .
H16D H 0.8416 0.1577 1.0178 0.0604 Uiso 1.0 1 calc R . .
H16E H 0.8786 0.1463 0.9471 0.0604 Uiso 1.0 1 calc R . .
H16F H 0.9411 0.1512 1.0441 0.0604 Uiso 1.0 1 calc R . .
H16G H 0.5865 -0.3242 0.7844 0.1300 Uiso 1.0 1 calc R . .
H16H H 0.6281 -0.2599 0.8758 0.1300 Uiso 1.0 1 calc R . .
H16I H 0.6712 -0.3311 0.8624 0.1300 Uiso 1.0 1 calc R . .
H17A H 0.4771 -0.1489 0.6971 0.0477 Uiso 1.0 1 calc R . .
H17B H 0.3758 -0.1670 0.6287 0.0477 Uiso 1.0 1 calc R . .
H17C H 0.2110 0.0725 0.7363 0.0490 Uiso 1.0 1 calc R . .
H17D H 0.2389 0.1364 0.6881 0.0490 Uiso 1.0 1 calc R . .
H17E H 0.2431 0.1683 0.7803 0.0490 Uiso 1.0 1 calc R . .
H17F H 0.4737 0.1747 0.9228 0.0514 Uiso 1.0 1 calc R . .
H17G H 0.5677 0.1557 0.9595 0.0514 Uiso 1.0 1 calc R . .
H17H H 0.5014 0.1381 1.0038 0.0514 Uiso 1.0 1 calc R . .
H17I H 0.4006 -0.0869 0.5076 0.0618 Uiso 1.0 1 calc R . .
H17J H 0.3404 -0.1771 0.4935 0.0618 Uiso 1.0 1 calc R . .
H17K H 0.4147 -0.1638 0.4578 0.0618 Uiso 1.0 1 calc R . .
H18 H 0.9164 0.4594 1.1124 0.0384 Uiso 1.0 1 calc R . .
H18A H 0.2903 0.0278 0.4027 0.0452 Uiso 1.0 1 calc R . .
H18B H 0.3124 -0.0009 0.4888 0.0452 Uiso 1.0 1 calc R . .
H18C H 0.4153 0.4358 0.5786 0.0631 Uiso 1.0 1 calc R . .
H18D H 0.4773 0.4220 0.5315 0.0631 Uiso 1.0 1 calc R . .
H18E H 0.5206 0.4841 0.6244 0.0631 Uiso 1.0 1 calc R . .
H19 H 1.0606 0.5473 1.1278 0.0385 Uiso 1.0 1 calc R . .
H19A H 0.5655 0.3292 0.7813 0.0530 Uiso 1.0 1 calc R . .
H19B H 0.5310 0.2515 0.8108 0.0530 Uiso 1.0 1 calc R . .
H19C H 0.5108 0.3345 0.8375 0.0530 Uiso 1.0 1 calc R . .
H19D H 0.1513 -0.0699 0.4155 0.1264 Uiso 1.0 1 calc R . .
H19E H 0.1349 -0.0220 0.3431 0.1264 Uiso 1.0 1 calc R . .
H19F H 0.0851 -0.0151 0.4037 0.1264 Uiso 1.0 1 calc R . .
H19G H 0.3458 0.1704 0.3350 0.0444 Uiso 1.0 1 calc R . .
H19H H 0.3514 0.2237 0.2697 0.0444 Uiso 1.0 1 calc R . .
H20A H 0.7180 0.4942 0.4167 0.1327 Uiso 1.0 1 calc R . .
H20B H 0.7246 0.4347 0.3419 0.1327 Uiso 1.0 1 calc R . .
H20C H 0.8117 0.4785 0.4308 0.1327 Uiso 1.0 1 calc R . .
H20D H 0.2327 0.1221 0.1606 0.1066 Uiso 1.0 1 calc R . .
H20E H 0.2274 0.0637 0.2211 0.1066 Uiso 1.0 1 calc R . .
H20F H 0.2405 0.0325 0.1377 0.1066 Uiso 1.0 1 calc R . .
H21A H 0.5131 -0.0101 0.2359 0.0466 Uiso 1.0 1 calc R . .
H21B H 0.5026 0.0792 0.2544 0.0466 Uiso 1.0 1 calc R . .
H21C H 0.8915 0.1269 0.2077 0.0960 Uiso 1.0 1 calc R . .
H21D H 0.9311 0.0752 0.2725 0.0960 Uiso 1.0 1 calc R . .
H21E H 0.9926 0.1628 0.2810 0.0960 Uiso 1.0 1 calc R . .
H21F H 0.9311 0.3087 0.4121 0.0530 Uiso 1.0 1 calc R . .
H21G H 0.8689 0.3376 0.4524 0.0530 Uiso 1.0 1 calc R . .
H21H H 0.8974 0.3852 0.3919 0.0530 Uiso 1.0 1 calc R . .
H22A H 0.3945 0.0490 0.1079 0.1066 Uiso 1.0 1 calc R . .
H22B H 0.4060 -0.0401 0.0973 0.1066 Uiso 1.0 1 calc R . .
H22C H 0.4217 0.0133 0.0354 0.1066 Uiso 1.0 1 calc R . .
H22D H 0.6467 -0.0711 0.3429 0.0501 Uiso 1.0 1 calc R . .
H22E H 0.6803 -0.1439 0.3116 0.0501 Uiso 1.0 1 calc R . .
H23 H 1.2519 0.5383 0.9510 0.0343 Uiso 1.0 1 calc R . .
H23A H 1.0886 -0.1174 0.5327 0.0691 Uiso 1.0 1 calc R . .
H23B H 1.0582 -0.1197 0.6080 0.0691 Uiso 1.0 1 calc R . .
H23C H 1.1534 -0.0591 0.6267 0.0691 Uiso 1.0 1 calc R . .
H23D H 1.0847 0.1182 0.5387 0.0509 Uiso 1.0 1 calc R . .
H23E H 1.0239 0.1681 0.4869 0.0509 Uiso 1.0 1 calc R . .
H23F H 1.0929 0.1393 0.4564 0.0509 Uiso 1.0 1 calc R . .
H23G H 0.5251 -0.2148 0.2823 0.0775 Uiso 1.0 1 calc R . .
H23H H 0.5122 -0.1444 0.3422 0.0775 Uiso 1.0 1 calc R . .
H23I H 0.5066 -0.2315 0.3616 0.0775 Uiso 1.0 1 calc R . .
H24 H 1.2256 0.4563 0.8126 0.0287 Uiso 1.0 1 calc R . .
H24A H 0.7527 -0.2504 0.6186 0.0401 Uiso 1.0 1 calc R . .
H24B H 0.7697 -0.2049 0.5513 0.0401 Uiso 1.0 1 calc R . .
H24C H 1.0610 0.1175 1.0109 0.1313 Uiso 1.0 1 calc R . .
H24D H 1.1145 0.0939 0.9577 0.1313 Uiso 1.0 1 calc R . .
H24E H 1.0610 0.0253 0.9859 0.1313 Uiso 1.0 1 calc R . .
H24F H 1.0049 0.1039 0.6601 0.0439 Uiso 1.0 1 calc R . .
H24G H 1.0911 0.1611 0.7445 0.0439 Uiso 1.0 1 calc R . .
H24H H 0.9925 0.1504 0.7386 0.0439 Uiso 1.0 1 calc R . .
H24I H 0.8196 -0.3044 0.4957 0.0708 Uiso 1.0 1 calc R . .
H24J H 0.8038 -0.3596 0.5561 0.0708 Uiso 1.0 1 calc R . .
H24K H 0.9008 -0.3309 0.5573 0.0708 Uiso 1.0 1 calc R . .
H28 H 0.9420 0.2332 0.5550 0.0332 Uiso 1.0 1 calc R . .
H29 H 0.7954 0.1502 0.5375 0.0346 Uiso 1.0 1 calc R . .
H33 H 0.6744 0.3670 0.9408 0.0416 Uiso 1.0 1 calc R . .
H34 H 0.5918 0.3610 1.0211 0.0483 Uiso 1.0 1 calc R . .
H35 H 0.7673 0.2870 1.1894 0.0496 Uiso 1.0 1 calc R . .
H36 H 0.8520 0.2881 1.1126 0.0430 Uiso 1.0 1 calc R . .
H38 H 1.1556 0.6506 0.9892 0.0590 Uiso 1.0 1 calc R . .
H39 H 1.2741 0.7620 1.0866 0.0636 Uiso 1.0 1 calc R . .
H40 H 1.3494 0.6366 1.2500 0.0548 Uiso 1.0 1 calc R . .
H41 H 1.2321 0.5212 1.1596 0.0466 Uiso 1.0 1 calc R . .
H43 H 1.1989 0.2952 0.7447 0.0332 Uiso 1.0 1 calc R . .
H44 H 1.2834 0.2975 0.6683 0.0445 Uiso 1.0 1 calc R . .
H45 H 1.1168 0.3770 0.4968 0.0413 Uiso 1.0 1 calc R . .
H46 H 1.0318 0.3831 0.5710 0.0318 Uiso 1.0 1 calc R . .
H48 H 0.7309 0.0186 0.6640 0.0507 Uiso 1.0 1 calc R . .
H49 H 0.6217 -0.0884 0.5534 0.0650 Uiso 1.0 1 calc R . .
H50 H 0.5146 0.0602 0.4340 0.0569 Uiso 1.0 1 calc R . .
H51 H 0.6200 0.1712 0.5432 0.0528 Uiso 1.0 1 calc R . .
H52 H 1.3694 0.4134 1.3964 0.0448 Uiso 1.0 1 calc R . .
H53 H 1.2513 0.3908 1.4347 0.0449 Uiso 1.0 1 calc R . .
H54 H 1.1478 0.4319 1.2822 0.0413 Uiso 1.0 1 calc R . .
H55 H 1.2096 0.5225 1.4559 0.0349 Uiso 1.0 1 calc R . .
H56 H 1.2757 0.5639 1.3352 0.0363 Uiso 1.0 1 calc R . .
H57A H 1.3949 0.6683 1.4568 0.0462 Uiso 1.0 1 calc R . .
H57B H 1.3002 0.6860 1.4210 0.0462 Uiso 1.0 1 calc R . .
H61A H 1.1145 0.2504 1.3399 0.0845 Uiso 1.0 1 calc R . .
H61B H 1.2111 0.2549 1.4102 0.0845 Uiso 1.0 1 calc R . .
H61C H 1.1711 0.1967 1.3157 0.0845 Uiso 1.0 1 calc R . .
H63A H 1.0155 0.3421 1.2281 0.0597 Uiso 1.0 1 calc R . .
H63B H 0.9868 0.4143 1.2675 0.0597 Uiso 1.0 1 calc R . .
H63C H 0.9603 0.3264 1.2832 0.0597 Uiso 1.0 1 calc R . .
H65A H 1.4667 0.6941 1.5998 0.0602 Uiso 1.0 1 calc R . .
H65B H 1.4182 0.5988 1.5796 0.0602 Uiso 1.0 1 calc R . .
H65C H 1.4119 0.6627 1.6511 0.0602 Uiso 1.0 1 calc R . .
H66 H 1.5063 0.3953 1.1388 0.0327 Uiso 1.0 1 calc R . .
H67 H 1.4143 0.3056 1.1779 0.0351 Uiso 1.0 1 calc R . .
H68 H 1.2881 0.3969 1.1312 0.0347 Uiso 1.0 1 calc R . .
H69 H 1.3981 0.3807 1.2963 0.0380 Uiso 1.0 1 calc R . .
H70 H 1.4133 0.5195 1.2283 0.0376 Uiso 1.0 1 calc R . .
H71A H 1.5467 0.5884 1.3534 0.0415 Uiso 1.0 1 calc R . .
H71B H 1.4598 0.5740 1.3719 0.0415 Uiso 1.0 1 calc R . .
H75A H 1.3381 0.1816 1.0673 0.0962 Uiso 1.0 1 calc R . .
H75B H 1.4309 0.2329 1.0711 0.0962 Uiso 1.0 1 calc R . .
H75C H 1.3434 0.1958 0.9816 0.0962 Uiso 1.0 1 calc R . .
H77A H 1.1470 0.3047 1.0671 0.0631 Uiso 1.0 1 calc R . .
H77B H 1.1598 0.3421 1.1615 0.0631 Uiso 1.0 1 calc R . .
H77C H 1.1227 0.2455 1.1210 0.0631 Uiso 1.0 1 calc R . .
H79A H 1.5528 0.5800 1.5197 0.0625 Uiso 1.0 1 calc R . .
H79B H 1.6336 0.6033 1.4932 0.0625 Uiso 1.0 1 calc R . .
H79C H 1.6227 0.5288 1.5349 0.0625 Uiso 1.0 1 calc R . .
H80 H 1.5119 0.6340 0.9194 0.0328 Uiso 1.0 1 calc R . .
H81 H 1.5313 0.5081 0.9311 0.0311 Uiso 1.0 1 calc R . .
H82 H 1.3664 0.4536 0.9448 0.0318 Uiso 1.0 1 calc R . .
H83 H 1.5389 0.4940 1.0876 0.0320 Uiso 1.0 1 calc R . .
H84 H 1.4260 0.5984 1.0680 0.0333 Uiso 1.0 1 calc R . .
H85A H 1.5527 0.6942 1.1863 0.0415 Uiso 1.0 1 calc R . .
H85B H 1.5202 0.6133 1.2126 0.0415 Uiso 1.0 1 calc R . .
H89A H 1.5187 0.4865 0.8030 0.0587 Uiso 1.0 1 calc R . .
H89B H 1.4643 0.5495 0.7745 0.0587 Uiso 1.0 1 calc R . .
H89C H 1.4233 0.4558 0.7210 0.0587 Uiso 1.0 1 calc R . .
H91A H 1.3638 0.3321 0.8325 0.0401 Uiso 1.0 1 calc R . .
H91B H 1.3186 0.3189 0.8960 0.0401 Uiso 1.0 1 calc R . .
H91C H 1.3852 0.2688 0.8884 0.0401 Uiso 1.0 1 calc R . .
H93A H 1.6773 0.6287 1.3218 0.0901 Uiso 1.0 1 calc R . .
H93B H 1.6872 0.7164 1.3036 0.0901 Uiso 1.0 1 calc R . .
H93C H 1.7542 0.6672 1.2951 0.0901 Uiso 1.0 1 calc R . .
H94 H 1.2371 0.8222 0.8209 0.0373 Uiso 1.0 1 calc R . .
H95 H 1.3275 0.7662 0.7683 0.0382 Uiso 1.0 1 calc R . .
H96 H 1.2516 0.6153 0.7971 0.0336 Uiso 1.0 1 calc R . .
H97 H 1.4385 0.7124 0.8855 0.0307 Uiso 1.0 1 calc R . .
H98 H 1.3179 0.7086 0.9646 0.0318 Uiso 1.0 1 calc R . .
H99A H 1.4370 0.8264 1.0685 0.0433 Uiso 1.0 1 calc R . .
H99B H 1.4632 0.7435 1.0677 0.0433 Uiso 1.0 1 calc R . .
H108 H 0.8988 0.7610 0.8615 0.0367 Uiso 1.0 1 calc R . .
H109 H 0.9226 0.7119 0.7448 0.0401 Uiso 1.0 1 calc R . .
H110 H 1.0448 0.6353 0.8432 0.0359 Uiso 1.0 1 calc R . .
H111 H 1.0943 0.7741 0.7836 0.0367 Uiso 1.0 1 calc R . .
H112 H 1.1252 0.7754 0.9571 0.0365 Uiso 1.0 1 calc R . .
H122 H 0.8872 0.7236 1.1902 0.0514 Uiso 1.0 1 calc R . .
H123 H 0.7967 0.6905 1.0438 0.0506 Uiso 1.0 1 calc R . .
H124 H 0.9169 0.6097 1.0143 0.0442 Uiso 1.0 1 calc R . .
H125 H 0.8868 0.7567 0.9707 0.0406 Uiso 1.0 1 calc R . .
H126 H 1.0471 0.7479 1.1058 0.0486 Uiso 1.0 1 calc R . .
H137 H 1.1605 0.6272 1.4733 0.0370 Uiso 1.0 1 calc R . .
H138 H 1.0214 0.6581 1.4273 0.0418 Uiso 1.0 1 calc R . .
H139 H 0.9719 0.5549 1.2627 0.0382 Uiso 1.0 1 calc R . .
H140 H 1.0008 0.7284 1.3011 0.0417 Uiso 1.0 1 calc R . .
H141 H 1.1263 0.6538 1.2727 0.0421 Uiso 1.0 1 calc R . .
H151 H 0.5536 -0.0710 0.9007 0.0335 Uiso 1.0 1 calc R . .
H152 H 0.7084 -0.0411 0.9863 0.0384 Uiso 1.0 1 calc R . .
H153 H 0.7452 0.0512 0.8753 0.0345 Uiso 1.0 1 calc R . .
H154 H 0.7866 -0.0974 0.8976 0.0322 Uiso 1.0 1 calc R . .
H155 H 0.6406 -0.0887 0.7484 0.0346 Uiso 1.0 1 calc R . .
H165 H 0.2833 0.0390 0.6206 0.0357 Uiso 1.0 1 calc R . .
H166 H 0.3123 0.0039 0.7532 0.0355 Uiso 1.0 1 calc R . .
H167 H 0.4952 0.1026 0.8096 0.0278 Uiso 1.0 1 calc R . .
H168 H 0.4394 -0.0698 0.7912 0.0321 Uiso 1.0 1 calc R . .
H169 H 0.4884 -0.0070 0.6691 0.0330 Uiso 1.0 1 calc R . .
H179 H 0.3804 0.2908 0.4557 0.0412 Uiso 1.0 1 calc R . .
H180 H 0.3643 0.3064 0.5808 0.0413 Uiso 1.0 1 calc R . .
H181 H 0.5041 0.2357 0.6562 0.0365 Uiso 1.0 1 calc R . .
H182 H 0.3140 0.1556 0.5967 0.0347 Uiso 1.0 1 calc R . .
H183 H 0.4243 0.1183 0.5153 0.0413 Uiso 1.0 1 calc R . .
H193 H 0.6205 0.2912 0.2796 0.0386 Uiso 1.0 1 calc R . .
H194 H 0.5980 0.3867 0.3786 0.0481 Uiso 1.0 1 calc R . .
H195 H 0.6388 0.2783 0.4857 0.0407 Uiso 1.0 1 calc R . .
H196 H 0.4781 0.3243 0.4135 0.0362 Uiso 1.0 1 calc R . .
H197 H 0.4968 0.1655 0.3607 0.0373 Uiso 1.0 1 calc R . .
H208 H 0.7911 0.0173 0.2648 0.0412 Uiso 1.0 1 calc R . .
H209 H 0.7790 0.1407 0.2288 0.0421 Uiso 1.0 1 calc R . .
H210 H 0.8012 0.2005 0.4008 0.0372 Uiso 1.0 1 calc R . .
H211 H 0.6493 0.1823 0.2420 0.0321 Uiso 1.0 1 calc R . .
H212 H 0.6461 0.0745 0.3496 0.0341 Uiso 1.0 1 calc R . .
H222 H 0.9160 -0.1469 0.5480 0.0335 Uiso 1.0 1 calc R . .
H223 H 0.9597 -0.0935 0.4505 0.0339 Uiso 1.0 1 calc R . .
H224 H 0.9373 0.0570 0.5169 0.0337 Uiso 1.0 1 calc R . .
H225 H 0.8286 -0.0520 0.3473 0.0351 Uiso 1.0 1 calc R . .
H226 H 0.7694 -0.0328 0.4806 0.0374 Uiso 1.0 1 calc R . .
H236 H 0.8996 -0.0925 0.8800 0.0293 Uiso 1.0 1 calc R . .
H237 H 1.0162 -0.0350 0.8501 0.0351 Uiso 1.0 1 calc R . .
H238 H 0.9047 0.0363 0.7317 0.0331 Uiso 1.0 1 calc R . .
H239 H 0.9657 -0.0977 0.6866 0.0323 Uiso 1.0 1 calc R . .
H240 H 0.7859 -0.1044 0.6638 0.0334 Uiso 1.0 1 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Al1 O10 1.855(6) yes . .
Al1 O11 2.189(10) yes . .
Al1 N2 2.010(6) yes . .
Al1 N3 2.011(6) yes . .
Al1 N4 1.991(6) yes . .
Al1 N5 1.995(6) yes . .
O58 C52 1.400(8) yes . .
O58 C56 1.442(9) yes . .
O59 C52 1.411(9) yes . .
O59 C69 1.434(11) yes . .
O60 C53 1.413(9) yes . .
O60 C61 1.389(13) yes . .
O62 C54 1.431(10) yes . .
O62 C63 1.412(8) yes . .
O64 C57 1.421(11) yes . .
O64 C65 1.418(10) yes . .
O72 C66 1.420(7) yes . .
O72 C70 1.449(10) yes . .
O73 C66 1.418(8) yes . .
O73 C83 1.435(9) yes . .
O74 C67 1.422(7) yes . .
O74 C75 1.401(13) yes . .
O76 C68 1.407(8) yes . .
O76 C77 1.424(10) yes . .
O78 C71 1.402(9) yes . .
O78 C79 1.410(8) yes . .
O86 C80 1.412(7) yes . .
O86 C84 1.447(10) yes . .
O87 C80 1.409(8) yes . .
O87 C97 1.430(8) yes . .
O88 C81 1.406(7) yes . .
O88 C89 1.406(13) yes . .
O90 C82 1.422(8) yes . .
O90 C91 1.429(6) yes . .
O92 C85 1.407(10) yes . .
O92 C93 1.404(9) yes . .
O100 C94 1.411(7) yes . .
O100 C98 1.449(8) yes . .
O101 C94 1.416(9) yes . .
O101 C111 1.424(9) yes . .
O102 C95 1.434(7) yes . .
O102 C103 1.411(12) yes . .
O104 C96 1.419(10) yes . .
O104 C105 1.431(7) yes . .
O106 C99 1.419(11) yes . .
O106 C107 1.414(9) yes . .
O114 C108 1.418(7) yes . .
O114 C112 1.424(9) yes . .
O115 C108 1.414(9) yes . .
O115 C125 1.438(11) yes . .
O116 C109 1.421(8) yes . .
O116 C117 1.407(10) yes . .
O118 C110 1.415(9) yes . .
O118 C119 1.348(14) yes . .
O120 C113 1.424(10) yes . .
O120 C121 1.419(10) yes . .
O128 C122 1.404(10) yes . .
O128 C126 1.443(12) yes . .
O129 C122 1.417(10) yes . .
O129 C140 1.418(9) yes . .
O130 C123 1.410(11) yes . .
O130 C131 1.32(2) yes . .
O130 C132 1.52(3) yes . .
O133 C124 1.416(7) yes . .
O133 C134 1.407(11) yes . .
O135 C127 1.413(13) yes . .
O135 C136 1.33(2) yes . .
O143 C137 1.407(9) yes . .
O143 C141 1.431(9) yes . .
O144 C55 1.431(9) yes . .
O144 C137 1.424(9) yes . .
O145 C138 1.416(10) yes . .
O145 C146 1.425(10) yes . .
O147 C139 1.415(9) yes . .
O147 C148 1.441(9) yes . .
O149 C142 1.402(12) yes . .
O149 C150 1.416(11) yes . .
O157 C151 1.420(9) yes . .
O157 C155 1.434(10) yes . .
O158 C151 1.400(9) yes . .
O158 C168 1.428(7) yes . .
O159 C152 1.421(9) yes . .
O159 C160 1.416(12) yes . .
O161 C153 1.433(6) yes . .
O161 C162 1.404(8) yes . .
O163 C156 1.416(11) yes . .
O163 C164 1.406(18) yes . .
O171 C165 1.408(9) yes . .
O171 C169 1.442(8) yes . .
O172 C165 1.406(9) yes . .
O172 C182 1.458(9) yes . .
O173 C166 1.423(9) yes . .
O173 C174 1.417(9) yes . .
O175 C167 1.425(9) yes . .
O175 C176 1.418(8) yes . .
O177 C170 1.417(12) yes . .
O177 C178 1.397(10) yes . .
O185 C179 1.403(8) yes . .
O185 C183 1.439(9) yes . .
O186 C179 1.416(10) yes . .
O186 C196 1.432(10) yes . .
O187 C180 1.417(7) yes . .
O187 C188 1.419(10) yes . .
O189 C181 1.422(10) yes . .
O189 C190 1.401(8) yes . .
O191 C184 1.413(10) yes . .
O191 C192 1.366(10) yes . .
O199 C193 1.419(7) yes . .
O199 C197 1.433(10) yes . .
O200 C193 1.399(9) yes . .
O200 C211 1.425(9) yes . .
O201 C194 1.409(9) yes . .
O201 C202 1.371(17) yes . .
O203 C195 1.413(8) yes . .
O203 C204 1.546(17) yes . .
O203 C205 1.42(3) yes . .
O206 C198 1.392(9) yes . .
O206 C207 1.413(10) yes . .
O214 C208 1.403(8) yes . .
O214 C212 1.449(10) yes . .
O215 C208 1.419(8) yes . .
O215 C225 1.438(9) yes . .
O216 C209 1.417(8) yes . .
O216 C217 1.431(16) yes . .
O218 C210 1.419(9) yes . .
O218 C219 1.425(7) yes . .
O220 C213 1.390(11) yes . .
O220 C221 1.400(11) yes . .
O228 C222 1.403(7) yes . .
O228 C226 1.447(9) yes . .
O229 C222 1.411(9) yes . .
O229 C239 1.438(9) yes . .
O230 C223 1.413(7) yes . .
O230 C231 1.401(11) yes . .
O232 C224 1.404(10) yes . .
O232 C233 1.425(7) yes . .
O234 C227 1.412(11) yes . .
O234 C235 1.422(9) yes . .
O242 C236 1.426(7) yes . .
O242 C240 1.429(9) yes . .
O243 C154 1.441(10) yes . .
O243 C236 1.412(9) yes . .
O244 C237 1.405(8) yes . .
O244 C245 1.344(11) yes . .
O246 C238 1.445(8) yes . .
O246 C247 1.417(9) yes . .
O248 C241 1.426(10) yes . .
O248 C249 1.422(10) yes . .
N2 C12 1.391(6) yes . .
N2 C15 1.374(10) yes . .
N3 C17 1.379(10) yes . .
N3 C20 1.381(6) yes . .
N4 C22 1.383(6) yes . .
N4 C25 1.377(10) yes . .
N5 C27 1.375(10) yes . .
N5 C30 1.393(6) yes . .
N6 C34 1.337(11) yes . .
N6 C35 1.339(11) yes . .
N7 C39 1.302(10) yes . .
N7 C40 1.338(11) yes . .
N8 C44 1.345(11) yes . .
N8 C45 1.341(10) yes . .
N9 C49 1.347(11) yes . .
N9 C50 1.310(11) yes . .
C12 C13 1.441(11) yes . .
C12 C31 1.371(10) yes . .
C13 C14 1.340(10) yes . .
C14 C15 1.432(8) yes . .
C15 C16 1.380(9) yes . .
C16 C17 1.399(8) yes . .
C16 C32 1.507(12) yes . .
C17 C18 1.418(9) yes . .
C18 C19 1.344(10) yes . .
C19 C20 1.421(11) yes . .
C20 C21 1.398(10) yes . .
C21 C22 1.401(11) yes . .
C21 C37 1.483(7) yes . .
C22 C23 1.437(11) yes . .
C23 C24 1.325(10) yes . .
C24 C25 1.433(8) yes . .
C25 C26 1.399(8) yes . .
C26 C27 1.399(8) yes . .
C26 C42 1.493(11) yes . .
C27 C28 1.430(8) yes . .
C28 C29 1.336(10) yes . .
C29 C30 1.423(10) yes . .
C30 C31 1.406(10) yes . .
C31 C47 1.499(7) yes . .
C32 C33 1.372(11) yes . .
C32 C36 1.376(11) yes . .
C33 C34 1.410(13) yes . .
C35 C36 1.395(13) yes . .
C37 C38 1.375(11) yes . .
C37 C41 1.385(9) yes . .
C38 C39 1.394(9) yes . .
C40 C41 1.388(8) yes . .
C42 C43 1.395(10) yes . .
C42 C46 1.390(10) yes . .
C43 C44 1.382(13) yes . .
C45 C46 1.372(12) yes . .
C47 C48 1.367(10) yes . .
C47 C51 1.368(10) yes . .
C48 C49 1.370(9) yes . .
C50 C51 1.381(9) yes . .
C52 C53 1.499(12) yes . .
C53 C54 1.526(11) yes . .
C54 C55 1.506(8) yes . .
C55 C56 1.519(10) yes . .
C56 C57 1.508(8) yes . .
C66 C67 1.513(9) yes . .
C67 C68 1.525(12) yes . .
C68 C69 1.516(8) yes . .
C69 C70 1.525(10) yes . .
C70 C71 1.495(8) yes . .
C80 C81 1.544(9) yes . .
C81 C82 1.523(11) yes . .
C82 C83 1.517(8) yes . .
C83 C84 1.523(9) yes . .
C84 C85 1.516(8) yes . .
C94 C95 1.518(12) yes . .
C95 C96 1.513(10) yes . .
C96 C97 1.532(8) yes . .
C97 C98 1.529(11) yes . .
C98 C99 1.505(8) yes . .
C108 C109 1.523(10) yes . .
C109 C110 1.523(11) yes . .
C110 C111 1.511(8) yes . .
C111 C112 1.533(11) yes . .
C112 C113 1.526(8) yes . .
C122 C123 1.529(9) yes . .
C123 C124 1.510(13) yes . .
C124 C125 1.514(11) yes . .
C125 C126 1.535(9) yes . .
C126 C127 1.494(11) yes . .
C131 C132 0.77(4) yes . .
C137 C138 1.529(11) yes . .
C138 C139 1.510(10) yes . .
C139 C140 1.538(11) yes . .
C140 C141 1.528(10) yes . .
C141 C142 1.493(11) yes . .
C151 C152 1.524(7) yes . .
C152 C153 1.523(12) yes . .
C153 C154 1.512(10) yes . .
C154 C155 1.529(7) yes . .
C155 C156 1.519(10) yes . .
C165 C166 1.540(11) yes . .
C166 C167 1.525(9) yes . .
C167 C168 1.527(10) yes . .
C168 C169 1.525(10) yes . .
C169 C170 1.524(10) yes . .
C179 C180 1.531(11) yes . .
C180 C181 1.516(11) yes . .
C181 C182 1.529(8) yes . .
C182 C183 1.505(11) yes . .
C183 C184 1.492(8) yes . .
C193 C194 1.542(10) yes . .
C194 C195 1.519(13) yes . .
C195 C196 1.508(9) yes . .
C196 C197 1.558(9) yes . .
C197 C198 1.508(9) yes . .
C204 C205 0.96(4) yes . .
C208 C209 1.518(11) yes . .
C209 C210 1.528(12) yes . .
C210 C211 1.518(9) yes . .
C211 C212 1.534(9) yes . .
C212 C213 1.511(8) yes . .
C222 C223 1.518(11) yes . .
C223 C224 1.513(10) yes . .
C224 C225 1.539(8) yes . .
C225 C226 1.526(11) yes . .
C226 C227 1.525(8) yes . .
C236 C237 1.517(9) yes . .
C237 C238 1.522(11) yes . .
C238 C239 1.507(8) yes . .
C239 C240 1.530(10) yes . .
C240 C241 1.517(8) yes . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C18 H18 0.950 no . .
C19 H19 0.950 no . .
C23 H23 0.950 no . .
C24 H24 0.950 no . .
C28 H28 0.950 no . .
C29 H29 0.950 no . .
C33 H33 0.950 no . .
C34 H34 0.950 no . .
C35 H35 0.950 no . .
C36 H36 0.950 no . .
C38 H38 0.950 no . .
C39 H39 0.950 no . .
C40 H40 0.950 no . .
C41 H41 0.950 no . .
C43 H43 0.950 no . .
C44 H44 0.950 no . .
C45 H45 0.950 no . .
C46 H46 0.950 no . .
C48 H48 0.950 no . .
C49 H49 0.950 no . .
C50 H50 0.950 no . .
C51 H51 0.950 no . .
C52 H52 1.000 no . .
C53 H53 1.000 no . .
C54 H54 1.000 no . .
C55 H55 1.000 no . .
C56 H56 1.000 no . .
C57 H57A 0.990 no . .
C57 H57B 0.990 no . .
C61 H61A 0.980 no . .
C61 H61B 0.980 no . .
C61 H61C 0.980 no . .
C63 H63A 0.980 no . .
C63 H63B 0.980 no . .
C63 H63C 0.980 no . .
C65 H65A 0.980 no . .
C65 H65B 0.980 no . .
C65 H65C 0.980 no . .
C66 H66 1.000 no . .
C67 H67 1.000 no . .
C68 H68 1.000 no . .
C69 H69 1.000 no . .
C70 H70 1.000 no . .
C71 H71A 0.990 no . .
C71 H71B 0.990 no . .
C75 H75A 0.980 no . .
C75 H75B 0.980 no . .
C75 H75C 0.980 no . .
C77 H77A 0.980 no . .
C77 H77B 0.980 no . .
C77 H77C 0.980 no . .
C79 H79A 0.980 no . .
C79 H79B 0.980 no . .
C79 H79C 0.980 no . .
C80 H80 1.000 no . .
C81 H81 1.000 no . .
C82 H82 1.000 no . .
C83 H83 1.000 no . .
C84 H84 1.000 no . .
C85 H85A 0.990 no . .
C85 H85B 0.990 no . .
C89 H89A 0.980 no . .
C89 H89B 0.980 no . .
C89 H89C 0.980 no . .
C91 H91A 0.980 no . .
C91 H91B 0.980 no . .
C91 H91C 0.980 no . .
C93 H93A 0.980 no . .
C93 H93B 0.980 no . .
C93 H93C 0.980 no . .
C94 H94 1.000 no . .
C95 H95 1.000 no . .
C96 H96 1.000 no . .
C97 H97 1.000 no . .
C98 H98 1.000 no . .
C99 H99A 0.990 no . .
C99 H99B 0.990 no . .
C103 H10A 0.980 no . .
C103 H10B 0.980 no . .
C103 H10C 0.980 no . .
C105 H10D 0.980 no . .
C105 H10E 0.980 no . .
C105 H10F 0.980 no . .
C107 H10G 0.980 no . .
C107 H10H 0.980 no . .
C107 H10I 0.980 no . .
C108 H108 1.000 no . .
C109 H109 1.000 no . .
C110 H110 1.000 no . .
C111 H111 1.000 no . .
C112 H112 1.000 no . .
C113 H11A 0.990 no . .
C113 H11B 0.990 no . .
C117 H11C 0.980 no . .
C117 H11D 0.980 no . .
C117 H11E 0.980 no . .
C119 H11F 0.980 no . .
C119 H11G 0.980 no . .
C119 H11H 0.980 no . .
C121 H12A 0.980 no . .
C121 H12B 0.980 no . .
C121 H12C 0.980 no . .
C122 H122 1.000 no . .
C123 H123 1.000 no . .
C124 H124 1.000 no . .
C125 H125 1.000 no . .
C126 H126 1.000 no . .
C127 H12D 0.990 no . .
C127 H12E 0.990 no . .
C134 H13A 0.980 no . .
C134 H13B 0.980 no . .
C134 H13C 0.980 no . .
C136 H13D 0.980 no . .
C136 H13E 0.980 no . .
C136 H13F 0.980 no . .
C137 H137 1.000 no . .
C138 H138 1.000 no . .
C139 H139 1.000 no . .
C140 H140 1.000 no . .
C141 H141 1.000 no . .
C142 H14A 0.990 no . .
C142 H14B 0.990 no . .
C146 H14C 0.980 no . .
C146 H14D 0.980 no . .
C146 H14E 0.980 no . .
C148 H14F 0.980 no . .
C148 H14G 0.980 no . .
C148 H14H 0.980 no . .
C150 H15A 0.980 no . .
C150 H15B 0.980 no . .
C150 H15C 0.980 no . .
C151 H151 1.000 no . .
C152 H152 1.000 no . .
C153 H153 1.000 no . .
C154 H154 1.000 no . .
C155 H155 1.000 no . .
C156 H15D 0.990 no . .
C156 H15E 0.990 no . .
C160 H16A 0.980 no . .
C160 H16B 0.980 no . .
C160 H16C 0.980 no . .
C162 H16D 0.980 no . .
C162 H16E 0.980 no . .
C162 H16F 0.980 no . .
C164 H16G 0.980 no . .
C164 H16H 0.980 no . .
C164 H16I 0.980 no . .
C165 H165 1.000 no . .
C166 H166 1.000 no . .
C167 H167 1.000 no . .
C168 H168 1.000 no . .
C169 H169 1.000 no . .
C170 H17A 0.990 no . .
C170 H17B 0.990 no . .
C174 H17C 0.980 no . .
C174 H17D 0.980 no . .
C174 H17E 0.980 no . .
C176 H17F 0.980 no . .
C176 H17G 0.980 no . .
C176 H17H 0.980 no . .
C178 H17I 0.980 no . .
C178 H17J 0.980 no . .
C178 H17K 0.980 no . .
C179 H179 1.000 no . .
C180 H180 1.000 no . .
C181 H181 1.000 no . .
C182 H182 1.000 no . .
C183 H183 1.000 no . .
C184 H18A 0.990 no . .
C184 H18B 0.990 no . .
C188 H18C 0.980 no . .
C188 H18D 0.980 no . .
C188 H18E 0.980 no . .
C190 H19A 0.980 no . .
C190 H19B 0.980 no . .
C190 H19C 0.980 no . .
C192 H19D 0.980 no . .
C192 H19E 0.980 no . .
C192 H19F 0.980 no . .
C193 H193 1.000 no . .
C194 H194 1.000 no . .
C195 H195 1.000 no . .
C196 H196 1.000 no . .
C197 H197 1.000 no . .
C198 H19G 0.990 no . .
C198 H19H 0.990 no . .
C202 H20A 0.980 no . .
C202 H20B 0.980 no . .
C202 H20C 0.980 no . .
C207 H20D 0.980 no . .
C207 H20E 0.980 no . .
C207 H20F 0.980 no . .
C208 H208 1.000 no . .
C209 H209 1.000 no . .
C210 H210 1.000 no . .
C211 H211 1.000 no . .
C212 H212 1.000 no . .
C213 H21A 0.990 no . .
C213 H21B 0.990 no . .
C217 H21C 0.980 no . .
C217 H21D 0.980 no . .
C217 H21E 0.980 no . .
C219 H21F 0.980 no . .
C219 H21G 0.980 no . .
C219 H21H 0.980 no . .
C221 H22A 0.980 no . .
C221 H22B 0.980 no . .
C221 H22C 0.980 no . .
C222 H222 1.000 no . .
C223 H223 1.000 no . .
C224 H224 1.000 no . .
C225 H225 1.000 no . .
C226 H226 1.000 no . .
C227 H22D 0.990 no . .
C227 H22E 0.990 no . .
C231 H23A 0.980 no . .
C231 H23B 0.980 no . .
C231 H23C 0.980 no . .
C233 H23D 0.980 no . .
C233 H23E 0.980 no . .
C233 H23F 0.980 no . .
C235 H23G 0.980 no . .
C235 H23H 0.980 no . .
C235 H23I 0.980 no . .
C236 H236 1.000 no . .
C237 H237 1.000 no . .
C238 H238 1.000 no . .
C239 H239 1.000 no . .
C240 H240 1.000 no . .
C241 H24A 0.990 no . .
C241 H24B 0.990 no . .
C245 H24C 0.980 no . .
C245 H24D 0.980 no . .
C245 H24E 0.980 no . .
C247 H24F 0.980 no . .
C247 H24G 0.980 no . .
C247 H24H 0.980 no . .
C249 H24I 0.980 no . .
C249 H24J 0.980 no . .
C249 H24K 0.980 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O10 Al1 O11 176.3(4) yes . . .
O10 Al1 N2 96.0(3) yes . . .
O10 Al1 N3 96.3(3) yes . . .
O10 Al1 N4 91.9(3) yes . . .
O10 Al1 N5 96.6(3) yes . . .
O11 Al1 N2 87.1(3) yes . . .
O11 Al1 N3 85.8(3) yes . . .
O11 Al1 N4 85.0(3) yes . . .
O11 Al1 N5 81.4(3) yes . . .
N2 Al1 N3 88.8(3) yes . . .
N2 Al1 N4 172.1(3) yes . . .
N2 Al1 N5 89.7(3) yes . . .
N3 Al1 N4 89.8(3) yes . . .
N3 Al1 N5 167.1(3) yes . . .
N4 Al1 N5 89.9(3) yes . . .
C52 O58 C56 113.3(5) yes . . .
C52 O59 C69 116.9(6) yes . . .
C53 O60 C61 117.1(9) yes . . .
C54 O62 C63 114.4(6) yes . . .
C57 O64 C65 113.6(7) yes . . .
C66 O72 C70 112.3(5) yes . . .
C66 O73 C83 117.4(6) yes . . .
C67 O74 C75 113.2(6) yes . . .
C68 O76 C77 113.8(6) yes . . .
C71 O78 C79 111.7(6) yes . . .
C80 O86 C84 114.5(4) yes . . .
C80 O87 C97 117.0(5) yes . . .
C81 O88 C89 114.3(5) yes . . .
C82 O90 C91 114.6(5) yes . . .
C85 O92 C93 113.9(7) yes . . .
C94 O100 C98 113.4(4) yes . . .
C94 O101 C111 117.9(6) yes . . .
C95 O102 C103 114.2(5) yes . . .
C96 O104 C105 114.2(6) yes . . .
C99 O106 C107 110.6(7) yes . . .
C108 O114 C112 113.3(5) yes . . .
C108 O115 C125 116.3(6) yes . . .
C109 O116 C117 114.0(6) yes . . .
C110 O118 C119 117.4(7) yes . . .
C113 O120 C121 112.0(6) yes . . .
C122 O128 C126 114.8(6) yes . . .
C122 O129 C140 116.1(6) yes . . .
C123 O130 C131 123.3(11) yes . . .
C123 O130 C132 105.3(11) yes . . .
C131 O130 C132 30.6(12) yes . . .
C124 O133 C134 114.3(7) yes . . .
C127 O135 C136 113.3(9) yes . . .
C137 O143 C141 113.8(4) yes . . .
C55 O144 C137 118.5(5) yes . . .
C138 O145 C146 113.8(5) yes . . .
C139 O147 C148 112.9(6) yes . . .
C142 O149 C150 113.1(7) yes . . .
C151 O157 C155 114.5(5) yes . . .
C151 O158 C168 117.5(5) yes . . .
C152 O159 C160 112.2(6) yes . . .
C153 O161 C162 113.5(6) yes . . .
C156 O163 C164 115.4(8) yes . . .
C165 O171 C169 114.5(4) yes . . .
C165 O172 C182 116.9(5) yes . . .
C166 O173 C174 114.3(5) yes . . .
C167 O175 C176 113.2(6) yes . . .
C170 O177 C178 111.7(7) yes . . .
C179 O185 C183 113.9(5) yes . . .
C179 O186 C196 117.8(6) yes . . .
C180 O187 C188 113.1(6) yes . . .
C181 O189 C190 115.3(6) yes . . .
C184 O191 C192 113.3(8) yes . . .
C193 O199 C197 114.8(5) yes . . .
C193 O200 C211 117.8(6) yes . . .
C194 O201 C202 114.1(7) yes . . .
C195 O203 C204 112.5(7) yes . . .
C195 O203 C205 113.3(13) yes . . .
C204 O203 C205 37.4(15) yes . . .
C198 O206 C207 111.0(8) yes . . .
C208 O214 C212 114.6(5) yes . . .
C208 O215 C225 116.9(6) yes . . .
C209 O216 C217 112.0(6) yes . . .
C210 O218 C219 112.9(6) yes . . .
C213 O220 C221 112.4(9) yes . . .
C222 O228 C226 113.1(4) yes . . .
C222 O229 C239 117.6(5) yes . . .
C223 O230 C231 113.6(5) yes . . .
C224 O232 C233 114.2(6) yes . . .
C227 O234 C235 111.8(7) yes . . .
C236 O242 C240 114.3(5) yes . . .
C154 O243 C236 116.6(5) yes . . .
C237 O244 C245 116.2(7) yes . . .
C238 O246 C247 114.1(5) yes . . .
C241 O248 C249 113.5(6) yes . . .
Al1 N2 C12 126.2(5) yes . . .
Al1 N2 C15 127.5(4) yes . . .
C12 N2 C15 105.8(5) yes . . .
Al1 N3 C17 128.2(4) yes . . .
Al1 N3 C20 127.6(5) yes . . .
C17 N3 C20 104.2(5) yes . . .
Al1 N4 C22 127.5(5) yes . . .
Al1 N4 C25 126.6(4) yes . . .
C22 N4 C25 105.4(5) yes . . .
Al1 N5 C27 127.7(3) yes . . .
Al1 N5 C30 127.7(5) yes . . .
C27 N5 C30 104.2(5) yes . . .
C34 N6 C35 116.0(9) yes . . .
C39 N7 C40 115.5(6) yes . . .
C44 N8 C45 116.5(8) yes . . .
C49 N9 C50 116.2(6) yes . . .
N2 C12 C13 109.2(6) yes . . .
N2 C12 C31 126.2(6) yes . . .
C13 C12 C31 124.5(5) yes . . .
C12 C13 C14 107.3(5) yes . . .
C13 C14 C15 107.8(7) yes . . .
N2 C15 C14 109.9(6) yes . . .
N2 C15 C16 125.6(6) yes . . .
C14 C15 C16 124.5(8) yes . . .
C15 C16 C17 124.5(8) yes . . .
C15 C16 C32 117.7(6) yes . . .
C17 C16 C32 117.9(6) yes . . .
N3 C17 C16 124.6(6) yes . . .
N3 C17 C18 110.6(5) yes . . .
C16 C17 C18 124.8(7) yes . . .
C17 C18 C19 107.5(7) yes . . .
C18 C19 C20 106.7(5) yes . . .
N3 C20 C19 111.0(6) yes . . .
N3 C20 C21 125.2(6) yes . . .
C19 C20 C21 123.8(5) yes . . .
C20 C21 C22 123.8(5) yes . . .
C20 C21 C37 119.6(6) yes . . .
C22 C21 C37 116.6(6) yes . . .
N4 C22 C21 125.6(7) yes . . .
N4 C22 C23 109.4(6) yes . . .
C21 C22 C23 124.9(5) yes . . .
C22 C23 C24 107.6(5) yes . . .
C23 C24 C25 107.7(7) yes . . .
N4 C25 C24 109.7(5) yes . . .
N4 C25 C26 124.9(5) yes . . .
C24 C25 C26 125.2(7) yes . . .
C25 C26 C27 124.6(7) yes . . .
C25 C26 C42 117.4(5) yes . . .
C27 C26 C42 118.0(5) yes . . .
N5 C27 C26 124.3(6) yes . . .
N5 C27 C28 110.6(5) yes . . .
C26 C27 C28 124.8(7) yes . . .
C27 C28 C29 107.4(7) yes . . .
C28 C29 C30 107.2(5) yes . . .
N5 C30 C29 110.5(6) yes . . .
N5 C30 C31 124.7(6) yes . . .
C29 C30 C31 124.7(5) yes . . .
C12 C31 C30 124.2(5) yes . . .
C12 C31 C47 119.1(6) yes . . .
C30 C31 C47 116.6(6) yes . . .
C16 C32 C33 120.1(7) yes . . .
C16 C32 C36 122.2(7) yes . . .
C33 C32 C36 117.8(8) yes . . .
C32 C33 C34 119.5(7) yes . . .
N6 C34 C33 123.3(8) yes . . .
N6 C35 C36 124.0(8) yes . . .
C32 C36 C35 119.4(7) yes . . .
C21 C37 C38 120.6(6) yes . . .
C21 C37 C41 122.9(6) yes . . .
C38 C37 C41 116.5(5) yes . . .
C37 C38 C39 119.3(7) yes . . .
N7 C39 C38 125.1(8) yes . . .
N7 C40 C41 123.9(7) yes . . .
C37 C41 C40 119.5(7) yes . . .
C26 C42 C43 119.6(6) yes . . .
C26 C42 C46 123.4(6) yes . . .
C43 C42 C46 117.0(7) yes . . .
C42 C43 C44 119.7(7) yes . . .
N8 C44 C43 123.2(7) yes . . .
N8 C45 C46 124.0(7) yes . . .
C42 C46 C45 119.5(7) yes . . .
C31 C47 C48 120.7(6) yes . . .
C31 C47 C51 122.2(6) yes . . .
C48 C47 C51 117.0(5) yes . . .
C47 C48 C49 119.8(7) yes . . .
N9 C49 C48 123.4(7) yes . . .
N9 C50 C51 123.6(7) yes . . .
C47 C51 C50 120.0(7) yes . . .
O58 C52 O59 111.9(6) yes . . .
O58 C52 C53 108.8(7) yes . . .
O59 C52 C53 110.9(5) yes . . .
O60 C53 C52 105.9(8) yes . . .
O60 C53 C54 114.7(6) yes . . .
C52 C53 C54 110.0(6) yes . . .
O62 C54 C53 108.4(6) yes . . .
O62 C54 C55 110.6(7) yes . . .
C53 C54 C55 109.8(5) yes . . .
O144 C55 C54 106.6(5) yes . . .
O144 C55 C56 112.1(6) yes . . .
C54 C55 C56 110.1(7) yes . . .
O58 C56 C55 109.1(6) yes . . .
O58 C56 C57 107.3(5) yes . . .
C55 C56 C57 115.2(7) yes . . .
O64 C57 C56 113.7(7) yes . . .
O72 C66 O73 111.1(5) yes . . .
O72 C66 C67 109.9(6) yes . . .
O73 C66 C67 109.0(5) yes . . .
O74 C67 C66 111.6(6) yes . . .
O74 C67 C68 109.3(5) yes . . .
C66 C67 C68 111.5(6) yes . . .
O76 C68 C67 108.5(6) yes . . .
O76 C68 C69 112.1(7) yes . . .
C67 C68 C69 106.9(6) yes . . .
O59 C69 C68 108.9(6) yes . . .
O59 C69 C70 111.0(6) yes . . .
C68 C69 C70 110.1(7) yes . . .
O72 C70 C69 108.8(6) yes . . .
O72 C70 C71 107.0(6) yes . . .
C69 C70 C71 116.8(7) yes . . .
O78 C71 C70 110.5(6) yes . . .
O86 C80 O87 112.9(6) yes . . .
O86 C80 C81 109.4(5) yes . . .
O87 C80 C81 109.6(4) yes . . .
O88 C81 C80 113.5(6) yes . . .
O88 C81 C82 108.0(5) yes . . .
C80 C81 C82 112.1(6) yes . . .
O90 C82 C81 109.3(6) yes . . .
O90 C82 C83 107.1(5) yes . . .
C81 C82 C83 112.7(5) yes . . .
O73 C83 C82 107.9(5) yes . . .
O73 C83 C84 108.8(6) yes . . .
C82 C83 C84 112.3(6) yes . . .
O86 C84 C83 110.4(6) yes . . .
O86 C84 C85 105.8(5) yes . . .
C83 C84 C85 113.0(6) yes . . .
O92 C85 C84 110.2(7) yes . . .
O100 C94 O101 111.2(6) yes . . .
O100 C94 C95 107.6(6) yes . . .
O101 C94 C95 110.9(5) yes . . .
O102 C95 C94 111.1(6) yes . . .
O102 C95 C96 108.0(5) yes . . .
C94 C95 C96 110.8(7) yes . . .
O104 C96 C95 110.4(6) yes . . .
O104 C96 C97 106.7(6) yes . . .
C95 C96 C97 109.8(5) yes . . .
O87 C97 C96 107.5(4) yes . . .
O87 C97 C98 109.1(6) yes . . .
C96 C97 C98 112.4(6) yes . . .
O100 C98 C97 111.3(6) yes . . .
O100 C98 C99 106.3(5) yes . . .
C97 C98 C99 113.0(6) yes . . .
O106 C99 C98 110.0(7) yes . . .
O114 C108 O115 110.6(5) yes . . .
O114 C108 C109 109.4(7) yes . . .
O115 C108 C109 110.7(6) yes . . .
O116 C109 C108 112.4(7) yes . . .
O116 C109 C110 108.6(6) yes . . .
C108 C109 C110 112.6(5) yes . . .
O118 C110 C109 108.1(5) yes . . .
O118 C110 C111 110.7(7) yes . . .
C109 C110 C111 110.5(6) yes . . .
O101 C111 C110 106.8(6) yes . . .
O101 C111 C112 110.7(5) yes . . .
C110 C111 C112 110.2(7) yes . . .
O114 C112 C111 111.1(5) yes . . .
O114 C112 C113 106.5(6) yes . . .
C111 C112 C113 113.8(7) yes . . .
O120 C113 C112 109.0(5) yes . . .
O128 C122 O129 112.8(6) yes . . .
O128 C122 C123 110.1(7) yes . . .
O129 C122 C123 108.9(7) yes . . .
O130 C123 C122 111.7(7) yes . . .
O130 C123 C124 109.3(7) yes . . .
C122 C123 C124 111.6(7) yes . . .
O133 C124 C123 108.9(6) yes . . .
O133 C124 C125 108.3(6) yes . . .
C123 C124 C125 109.5(7) yes . . .
O115 C125 C124 108.7(6) yes . . .
O115 C125 C126 108.5(6) yes . . .
C124 C125 C126 110.9(7) yes . . .
O128 C126 C125 110.8(7) yes . . .
O128 C126 C127 105.4(7) yes . . .
C125 C126 C127 114.1(7) yes . . .
O135 C127 C126 112.7(7) yes . . .
O130 C131 C132 89(3) yes . . .
O130 C132 C131 61(3) yes . . .
O143 C137 O144 111.3(7) yes . . .
O143 C137 C138 108.4(6) yes . . .
O144 C137 C138 107.5(5) yes . . .
O145 C138 C137 113.2(6) yes . . .
O145 C138 C139 109.5(5) yes . . .
C137 C138 C139 110.3(7) yes . . .
O147 C139 C138 111.3(7) yes . . .
O147 C139 C140 108.1(6) yes . . .
C138 C139 C140 110.7(5) yes . . .
O129 C140 C139 108.6(5) yes . . .
O129 C140 C141 108.7(7) yes . . .
C139 C140 C141 111.7(6) yes . . .
O143 C141 C140 111.2(7) yes . . .
O143 C141 C142 106.7(5) yes . . .
C140 C141 C142 113.0(7) yes . . .
O149 C142 C141 109.5(7) yes . . .
O157 C151 O158 112.4(6) yes . . .
O157 C151 C152 108.0(6) yes . . .
O158 C151 C152 108.8(5) yes . . .
O159 C152 C151 112.3(6) yes . . .
O159 C152 C153 108.4(5) yes . . .
C151 C152 C153 111.9(6) yes . . .
O161 C153 C152 108.7(6) yes . . .
O161 C153 C154 107.5(6) yes . . .
C152 C153 C154 110.0(5) yes . . .
O243 C154 C153 108.3(5) yes . . .
O243 C154 C155 108.6(6) yes . . .
C153 C154 C155 111.7(6) yes . . .
O157 C155 C154 111.6(6) yes . . .
O157 C155 C156 105.7(6) yes . . .
C154 C155 C156 112.8(6) yes . . .
O163 C156 C155 112.4(7) yes . . .
O171 C165 O172 111.6(7) yes . . .
O171 C165 C166 107.6(6) yes . . .
O172 C165 C166 110.4(5) yes . . .
O173 C166 C165 113.5(6) yes . . .
O173 C166 C167 107.7(4) yes . . .
C165 C166 C167 109.3(7) yes . . .
O175 C167 C166 111.4(6) yes . . .
O175 C167 C168 107.8(6) yes . . .
C166 C167 C168 110.2(5) yes . . .
O158 C168 C167 108.1(4) yes . . .
O158 C168 C169 107.8(6) yes . . .
C167 C168 C169 113.2(6) yes . . .
O171 C169 C168 112.4(6) yes . . .
O171 C169 C170 106.4(4) yes . . .
C168 C169 C170 110.5(6) yes . . .
O177 C170 C169 116.1(7) yes . . .
O185 C179 O186 111.8(6) yes . . .
O185 C179 C180 109.1(7) yes . . .
O186 C179 C180 111.4(5) yes . . .
O187 C180 C179 113.9(7) yes . . .
O187 C180 C181 105.8(5) yes . . .
C179 C180 C181 112.5(6) yes . . .
O189 C181 C180 107.5(6) yes . . .
O189 C181 C182 108.9(7) yes . . .
C180 C181 C182 110.5(5) yes . . .
O172 C182 C181 106.0(5) yes . . .
O172 C182 C183 110.2(6) yes . . .
C181 C182 C183 110.6(7) yes . . .
O185 C183 C182 108.9(6) yes . . .
O185 C183 C184 106.0(5) yes . . .
C182 C183 C184 115.1(7) yes . . .
O191 C184 C183 109.5(7) yes . . .
O199 C193 O200 111.6(6) yes . . .
O199 C193 C194 107.7(7) yes . . .
O200 C193 C194 108.7(6) yes . . .
O201 C194 C193 112.0(7) yes . . .
O201 C194 C195 109.3(6) yes . . .
C193 C194 C195 109.1(6) yes . . .
O203 C195 C194 110.4(6) yes . . .
O203 C195 C196 110.8(7) yes . . .
C194 C195 C196 107.4(6) yes . . .
O186 C196 C195 108.0(5) yes . . .
O186 C196 C197 110.2(5) yes . . .
C195 C196 C197 111.6(7) yes . . .
O199 C197 C196 110.2(5) yes . . .
O199 C197 C198 106.2(6) yes . . .
C196 C197 C198 113.0(7) yes . . .
O206 C198 C197 108.6(7) yes . . .
O203 C204 C205 63.9(18) yes . . .
O203 C205 C204 78.7(19) yes . . .
O214 C208 O215 112.4(7) yes . . .
O214 C208 C209 108.9(6) yes . . .
O215 C208 C209 110.5(5) yes . . .
O216 C209 C208 112.6(7) yes . . .
O216 C209 C210 109.0(5) yes . . .
C208 C209 C210 109.6(7) yes . . .
O218 C210 C209 110.4(7) yes . . .
O218 C210 C211 107.1(6) yes . . .
C209 C210 C211 108.2(5) yes . . .
O200 C211 C210 108.5(5) yes . . .
O200 C211 C212 107.6(6) yes . . .
C210 C211 C212 112.1(6) yes . . .
O214 C212 C211 112.8(6) yes . . .
O214 C212 C213 105.0(5) yes . . .
C211 C212 C213 113.6(6) yes . . .
O220 C213 C212 109.0(7) yes . . .
O228 C222 O229 111.2(6) yes . . .
O228 C222 C223 108.9(6) yes . . .
O229 C222 C223 109.7(5) yes . . .
O230 C223 C222 112.8(6) yes . . .
O230 C223 C224 109.0(5) yes . . .
C222 C223 C224 110.7(6) yes . . .
O232 C224 C223 111.3(6) yes . . .
O232 C224 C225 107.7(6) yes . . .
C223 C224 C225 109.3(5) yes . . .
O215 C225 C224 107.0(5) yes . . .
O215 C225 C226 110.1(6) yes . . .
C224 C225 C226 112.0(6) yes . . .
O228 C226 C225 108.6(6) yes . . .
O228 C226 C227 106.6(5) yes . . .
C225 C226 C227 112.3(6) yes . . .
O234 C227 C226 108.0(7) yes . . .
O242 C236 O243 111.5(4) yes . . .
O242 C236 C237 109.5(6) yes . . .
O243 C236 C237 110.2(5) yes . . .
O244 C237 C236 111.5(7) yes . . .
O244 C237 C238 109.4(6) yes . . .
C236 C237 C238 112.0(5) yes . . .
O246 C238 C237 106.7(5) yes . . .
O246 C238 C239 110.0(7) yes . . .
C237 C238 C239 111.3(6) yes . . .
O229 C239 C238 106.3(5) yes . . .
O229 C239 C240 112.1(5) yes . . .
C238 C239 C240 109.7(7) yes . . .
O242 C240 C239 109.3(5) yes . . .
O242 C240 C241 107.7(6) yes . . .
C239 C240 C241 114.1(7) yes . . .
O248 C241 C240 108.7(5) yes . . .
C12 C13 H13 126.376 no . . .
C14 C13 H13 126.368 no . . .
C13 C14 H14 126.101 no . . .
C15 C14 H14 126.101 no . . .
C17 C18 H18 126.241 no . . .
C19 C18 H18 126.235 no . . .
C18 C19 H19 126.683 no . . .
C20 C19 H19 126.661 no . . .
C22 C23 H23 126.191 no . . .
C24 C23 H23 126.177 no . . .
C23 C24 H24 126.150 no . . .
C25 C24 H24 126.136 no . . .
C27 C28 H28 126.298 no . . .
C29 C28 H28 126.303 no . . .
C28 C29 H29 126.396 no . . .
C30 C29 H29 126.397 no . . .
C32 C33 H33 120.270 no . . .
C34 C33 H33 120.260 no . . .
N6 C34 H34 118.335 no . . .
C33 C34 H34 118.337 no . . .
N6 C35 H35 117.982 no . . .
C36 C35 H35 117.983 no . . .
C32 C36 H36 120.310 no . . .
C35 C36 H36 120.322 no . . .
C37 C38 H38 120.337 no . . .
C39 C38 H38 120.341 no . . .
N7 C39 H39 117.463 no . . .
C38 C39 H39 117.458 no . . .
N7 C40 H40 118.025 no . . .
C41 C40 H40 118.030 no . . .
C37 C41 H41 120.237 no . . .
C40 C41 H41 120.250 no . . .
C42 C43 H43 120.173 no . . .
C44 C43 H43 120.164 no . . .
N8 C44 H44 118.413 no . . .
C43 C44 H44 118.412 no . . .
N8 C45 H45 117.982 no . . .
C46 C45 H45 117.970 no . . .
C42 C46 H46 120.250 no . . .
C45 C46 H46 120.253 no . . .
C47 C48 H48 120.128 no . . .
C49 C48 H48 120.118 no . . .
N9 C49 H49 118.313 no . . .
C48 C49 H49 118.314 no . . .
N9 C50 H50 118.212 no . . .
C51 C50 H50 118.214 no . . .
C47 C51 H51 120.019 no . . .
C50 C51 H51 120.016 no . . .
O58 C52 H52 108.363 no . . .
O59 C52 H52 108.373 no . . .
C53 C52 H52 108.371 no . . .
O60 C53 H53 108.711 no . . .
C52 C53 H53 108.705 no . . .
C54 C53 H53 108.710 no . . .
O62 C54 H54 109.317 no . . .
C53 C54 H54 109.320 no . . .
C55 C54 H54 109.308 no . . .
O144 C55 H55 109.329 no . . .
C54 C55 H55 109.325 no . . .
C56 C55 H55 109.328 no . . .
O58 C56 H56 108.342 no . . .
C55 C56 H56 108.334 no . . .
C57 C56 H56 108.350 no . . .
O64 C57 H57A 108.817 no . . .
O64 C57 H57B 108.820 no . . .
C56 C57 H57A 108.815 no . . .
C56 C57 H57B 108.818 no . . .
H57A C57 H57B 107.690 no . . .
O60 C61 H61A 109.478 no . . .
O60 C61 H61B 109.468 no . . .
O60 C61 H61C 109.468 no . . .
H61A C61 H61B 109.464 no . . .
H61A C61 H61C 109.473 no . . .
H61B C61 H61C 109.475 no . . .
O62 C63 H63A 109.474 no . . .
O62 C63 H63B 109.474 no . . .
O62 C63 H63C 109.476 no . . .
H63A C63 H63B 109.469 no . . .
H63A C63 H63C 109.471 no . . .
H63B C63 H63C 109.463 no . . .
O64 C65 H65A 109.475 no . . .
O64 C65 H65B 109.472 no . . .
O64 C65 H65C 109.468 no . . .
H65A C65 H65B 109.469 no . . .
H65A C65 H65C 109.472 no . . .
H65B C65 H65C 109.472 no . . .
O72 C66 H66 108.927 no . . .
O73 C66 H66 108.927 no . . .
C67 C66 H66 108.929 no . . .
O74 C67 H67 108.120 no . . .
C66 C67 H67 108.126 no . . .
C68 C67 H67 108.114 no . . .
O76 C68 H68 109.785 no . . .
C67 C68 H68 109.778 no . . .
C69 C68 H68 109.791 no . . .
O59 C69 H69 108.939 no . . .
C68 C69 H69 108.936 no . . .
C70 C69 H69 108.929 no . . .
O72 C70 H70 107.974 no . . .
C69 C70 H70 107.967 no . . .
C71 C70 H70 107.966 no . . .
O78 C71 H71A 109.541 no . . .
O78 C71 H71B 109.554 no . . .
C70 C71 H71A 109.550 no . . .
C70 C71 H71B 109.555 no . . .
H71A C71 H71B 108.097 no . . .
O74 C75 H75A 109.463 no . . .
O74 C75 H75B 109.467 no . . .
O74 C75 H75C 109.470 no . . .
H75A C75 H75B 109.475 no . . .
H75A C75 H75C 109.478 no . . .
H75B C75 H75C 109.474 no . . .
O76 C77 H77A 109.465 no . . .
O76 C77 H77B 109.473 no . . .
O76 C77 H77C 109.478 no . . .
H77A C77 H77B 109.468 no . . .
H77A C77 H77C 109.465 no . . .
H77B C77 H77C 109.478 no . . .
O78 C79 H79A 109.476 no . . .
O78 C79 H79B 109.472 no . . .
O78 C79 H79C 109.465 no . . .
H79A C79 H79B 109.474 no . . .
H79A C79 H79C 109.481 no . . .
H79B C79 H79C 109.459 no . . .
O86 C80 H80 108.299 no . . .
O87 C80 H80 108.305 no . . .
C81 C80 H80 108.297 no . . .
O88 C81 H81 107.658 no . . .
C80 C81 H81 107.671 no . . .
C82 C81 H81 107.659 no . . .
O90 C82 H82 109.223 no . . .
C81 C82 H82 109.226 no . . .
C83 C82 H82 109.216 no . . .
O73 C83 H83 109.284 no . . .
C82 C83 H83 109.287 no . . .
C84 C83 H83 109.293 no . . .
O86 C84 H84 109.196 no . . .
C83 C84 H84 109.189 no . . .
C85 C84 H84 109.184 no . . .
O92 C85 H85A 109.620 no . . .
O92 C85 H85B 109.613 no . . .
C84 C85 H85A 109.616 no . . .
C84 C85 H85B 109.616 no . . .
H85A C85 H85B 108.155 no . . .
O88 C89 H89A 109.477 no . . .
O88 C89 H89B 109.464 no . . .
O88 C89 H89C 109.465 no . . .
H89A C89 H89B 109.472 no . . .
H89A C89 H89C 109.473 no . . .
H89B C89 H89C 109.477 no . . .
O90 C91 H91A 109.472 no . . .
O90 C91 H91B 109.466 no . . .
O90 C91 H91C 109.479 no . . .
H91A C91 H91B 109.463 no . . .
H91A C91 H91C 109.471 no . . .
H91B C91 H91C 109.476 no . . .
O92 C93 H93A 109.473 no . . .
O92 C93 H93B 109.469 no . . .
O92 C93 H93C 109.477 no . . .
H93A C93 H93B 109.468 no . . .
H93A C93 H93C 109.472 no . . .
H93B C93 H93C 109.468 no . . .
O100 C94 H94 109.008 no . . .
O101 C94 H94 109.003 no . . .
C95 C94 H94 109.001 no . . .
O102 C95 H95 108.945 no . . .
C94 C95 H95 108.947 no . . .
C96 C95 H95 108.953 no . . .
O104 C96 H96 109.961 no . . .
C95 C96 H96 109.975 no . . .
C97 C96 H96 109.956 no . . .
O87 C97 H97 109.275 no . . .
C96 C97 H97 109.272 no . . .
C98 C97 H97 109.272 no . . .
O100 C98 H98 108.722 no . . .
C97 C98 H98 108.706 no . . .
C99 C98 H98 108.711 no . . .
O106 C99 H99A 109.656 no . . .
O106 C99 H99B 109.652 no . . .
C98 C99 H99A 109.656 no . . .
C98 C99 H99B 109.660 no . . .
H99A C99 H99B 108.171 no . . .
O102 C103 H10A 109.460 no . . .
O102 C103 H10B 109.476 no . . .
O102 C103 H10C 109.468 no . . .
H10A C103 H10B 109.472 no . . .
H10A C103 H10C 109.467 no . . .
H10B C103 H10C 109.485 no . . .
O104 C105 H10D 109.468 no . . .
O104 C105 H10E 109.466 no . . .
O104 C105 H10F 109.476 no . . .
H10D C105 H10E 109.471 no . . .
H10D C105 H10F 109.478 no . . .
H10E C105 H10F 109.468 no . . .
O106 C107 H10G 109.465 no . . .
O106 C107 H10H 109.468 no . . .
O106 C107 H10I 109.485 no . . .
H10G C107 H10H 109.466 no . . .
H10G C107 H10I 109.465 no . . .
H10H C107 H10I 109.479 no . . .
O114 C108 H108 108.699 no . . .
O115 C108 H108 108.690 no . . .
C109 C108 H108 108.697 no . . .
O116 C109 H109 107.664 no . . .
C108 C109 H109 107.669 no . . .
C110 C109 H109 107.660 no . . .
O118 C110 H110 109.204 no . . .
C109 C110 H110 109.204 no . . .
C111 C110 H110 109.203 no . . .
O101 C111 H111 109.705 no . . .
C110 C111 H111 109.706 no . . .
C112 C111 H111 109.703 no . . .
O114 C112 H112 108.456 no . . .
C111 C112 H112 108.455 no . . .
C113 C112 H112 108.455 no . . .
O120 C113 H11A 109.883 no . . .
O120 C113 H11B 109.889 no . . .
C112 C113 H11A 109.883 no . . .
C112 C113 H11B 109.877 no . . .
H11A C113 H11B 108.298 no . . .
O116 C117 H11C 109.466 no . . .
O116 C117 H11D 109.470 no . . .
O116 C117 H11E 109.470 no . . .
H11C C117 H11D 109.481 no . . .
H11C C117 H11E 109.478 no . . .
H11D C117 H11E 109.463 no . . .
O118 C119 H11F 109.467 no . . .
O118 C119 H11G 109.464 no . . .
O118 C119 H11H 109.466 no . . .
H11F C119 H11G 109.471 no . . .
H11F C119 H11H 109.481 no . . .
H11G C119 H11H 109.477 no . . .
O120 C121 H12A 109.478 no . . .
O120 C121 H12B 109.469 no . . .
O120 C121 H12C 109.466 no . . .
H12A C121 H12B 109.474 no . . .
H12A C121 H12C 109.466 no . . .
H12B C121 H12C 109.473 no . . .
O128 C122 H122 108.319 no . . .
O129 C122 H122 108.337 no . . .
C123 C122 H122 108.321 no . . .
O130 C123 H123 108.037 no . . .
C122 C123 H123 108.030 no . . .
C124 C123 H123 108.028 no . . .
O133 C124 H124 110.035 no . . .
C123 C124 H124 110.041 no . . .
C125 C124 H124 110.034 no . . .
O115 C125 H125 109.555 no . . .
C124 C125 H125 109.548 no . . .
C126 C125 H125 109.546 no . . .
O128 C126 H126 108.817 no . . .
C125 C126 H126 108.799 no . . .
C127 C126 H126 108.809 no . . .
O135 C127 H12D 109.046 no . . .
O135 C127 H12E 109.049 no . . .
C126 C127 H12D 109.065 no . . .
C126 C127 H12E 109.063 no . . .
H12D C127 H12E 107.814 no . . .
O133 C134 H13A 109.470 no . . .
O133 C134 H13B 109.475 no . . .
O133 C134 H13C 109.470 no . . .
H13A C134 H13B 109.476 no . . .
H13A C134 H13C 109.463 no . . .
H13B C134 H13C 109.474 no . . .
O135 C136 H13D 109.475 no . . .
O135 C136 H13E 109.464 no . . .
O135 C136 H13F 109.472 no . . .
H13D C136 H13E 109.466 no . . .
H13D C136 H13F 109.477 no . . .
H13E C136 H13F 109.473 no . . .
O143 C137 H137 109.844 no . . .
O144 C137 H137 109.833 no . . .
C138 C137 H137 109.854 no . . .
O145 C138 H138 107.873 no . . .
C137 C138 H138 107.884 no . . .
C139 C138 H138 107.882 no . . .
O147 C139 H139 108.921 no . . .
C138 C139 H139 108.921 no . . .
C140 C139 H139 108.913 no . . .
O129 C140 H140 109.255 no . . .
C139 C140 H140 109.249 no . . .
C141 C140 H140 109.251 no . . .
O143 C141 H141 108.611 no . . .
C140 C141 H141 108.601 no . . .
C142 C141 H141 108.610 no . . .
O149 C142 H14A 109.765 no . . .
O149 C142 H14B 109.760 no . . .
C141 C142 H14A 109.762 no . . .
C141 C142 H14B 109.765 no . . .
H14A C142 H14B 108.229 no . . .
O145 C146 H14C 109.473 no . . .
O145 C146 H14D 109.462 no . . .
O145 C146 H14E 109.470 no . . .
H14C C146 H14D 109.466 no . . .
H14C C146 H14E 109.478 no . . .
H14D C146 H14E 109.477 no . . .
O147 C148 H14F 109.470 no . . .
O147 C148 H14G 109.473 no . . .
O147 C148 H14H 109.473 no . . .
H14F C148 H14G 109.469 no . . .
H14F C148 H14H 109.465 no . . .
H14G C148 H14H 109.478 no . . .
O149 C150 H15A 109.474 no . . .
O149 C150 H15B 109.473 no . . .
O149 C150 H15C 109.464 no . . .
H15A C150 H15B 109.482 no . . .
H15A C150 H15C 109.468 no . . .
H15B C150 H15C 109.467 no . . .
O157 C151 H151 109.202 no . . .
O158 C151 H151 109.188 no . . .
C152 C151 H151 109.194 no . . .
O159 C152 H152 108.005 no . . .
C151 C152 H152 108.005 no . . .
C153 C152 H152 108.022 no . . .
O161 C153 H153 110.218 no . . .
C152 C153 H153 110.211 no . . .
C154 C153 H153 110.218 no . . .
O243 C154 H154 109.386 no . . .
C153 C154 H154 109.391 no . . .
C155 C154 H154 109.391 no . . .
O157 C155 H155 108.850 no . . .
C154 C155 H155 108.864 no . . .
C156 C155 H155 108.872 no . . .
O163 C156 H15D 109.115 no . . .
O163 C156 H15E 109.112 no . . .
C155 C156 H15D 109.112 no . . .
C155 C156 H15E 109.107 no . . .
H15D C156 H15E 107.845 no . . .
O159 C160 H16A 109.476 no . . .
O159 C160 H16B 109.480 no . . .
O159 C160 H16C 109.477 no . . .
H16A C160 H16B 109.459 no . . .
H16A C160 H16C 109.467 no . . .
H16B C160 H16C 109.469 no . . .
O161 C162 H16D 109.472 no . . .
O161 C162 H16E 109.469 no . . .
O161 C162 H16F 109.473 no . . .
H16D C162 H16E 109.469 no . . .
H16D C162 H16F 109.474 no . . .
H16E C162 H16F 109.470 no . . .
O163 C164 H16G 109.465 no . . .
O163 C164 H16H 109.462 no . . .
O163 C164 H16I 109.469 no . . .
H16G C164 H16H 109.478 no . . .
H16G C164 H16I 109.478 no . . .
H16H C164 H16I 109.476 no . . .
O171 C165 H165 109.086 no . . .
O172 C165 H165 109.083 no . . .
C166 C165 H165 109.070 no . . .
O173 C166 H166 108.770 no . . .
C165 C166 H166 108.784 no . . .
C167 C166 H166 108.788 no . . .
O175 C167 H167 109.145 no . . .
C166 C167 H167 109.151 no . . .
C168 C167 H167 109.149 no . . .
O158 C168 H168 109.231 no . . .
C167 C168 H168 109.231 no . . .
C169 C168 H168 109.228 no . . .
O171 C169 H169 109.189 no . . .
C168 C169 H169 109.193 no . . .
C170 C169 H169 109.181 no . . .
O177 C170 H17A 108.248 no . . .
O177 C170 H17B 108.258 no . . .
C169 C170 H17A 108.245 no . . .
C169 C170 H17B 108.258 no . . .
H17A C170 H17B 107.380 no . . .
O173 C174 H17C 109.466 no . . .
O173 C174 H17D 109.482 no . . .
O173 C174 H17E 109.468 no . . .
H17C C174 H17D 109.469 no . . .
H17C C174 H17E 109.468 no . . .
H17D C174 H17E 109.474 no . . .
O175 C176 H17F 109.475 no . . .
O175 C176 H17G 109.475 no . . .
O175 C176 H17H 109.471 no . . .
H17F C176 H17G 109.472 no . . .
H17F C176 H17H 109.468 no . . .
H17G C176 H17H 109.467 no . . .
O177 C178 H17I 109.470 no . . .
O177 C178 H17J 109.474 no . . .
O177 C178 H17K 109.480 no . . .
H17I C178 H17J 109.466 no . . .
H17I C178 H17K 109.467 no . . .
H17J C178 H17K 109.470 no . . .
O185 C179 H179 108.159 no . . .
O186 C179 H179 108.161 no . . .
C180 C179 H179 108.163 no . . .
O187 C180 H180 108.154 no . . .
C179 C180 H180 108.166 no . . .
C181 C180 H180 108.149 no . . .
O189 C181 H181 109.987 no . . .
C180 C181 H181 109.980 no . . .
C182 C181 H181 109.988 no . . .
O172 C182 H182 109.984 no . . .
C181 C182 H182 109.978 no . . .
C183 C182 H182 109.983 no . . .
O185 C183 H183 108.899 no . . .
C182 C183 H183 108.890 no . . .
C184 C183 H183 108.898 no . . .
O191 C184 H18A 109.765 no . . .
O191 C184 H18B 109.777 no . . .
C183 C184 H18A 109.760 no . . .
C183 C184 H18B 109.769 no . . .
H18A C184 H18B 108.228 no . . .
O187 C188 H18C 109.484 no . . .
O187 C188 H18D 109.470 no . . .
O187 C188 H18E 109.476 no . . .
H18C C188 H18D 109.466 no . . .
H18C C188 H18E 109.470 no . . .
H18D C188 H18E 109.461 no . . .
O189 C190 H19A 109.478 no . . .
O189 C190 H19B 109.472 no . . .
O189 C190 H19C 109.467 no . . .
H19A C190 H19B 109.473 no . . .
H19A C190 H19C 109.468 no . . .
H19B C190 H19C 109.468 no . . .
O191 C192 H19D 109.470 no . . .
O191 C192 H19E 109.464 no . . .
O191 C192 H19F 109.467 no . . .
H19D C192 H19E 109.479 no . . .
H19D C192 H19F 109.471 no . . .
H19E C192 H19F 109.477 no . . .
O199 C193 H193 109.611 no . . .
O200 C193 H193 109.606 no . . .
C194 C193 H193 109.608 no . . .
O201 C194 H194 108.812 no . . .
C193 C194 H194 108.795 no . . .
C195 C194 H194 108.803 no . . .
O203 C195 H195 109.404 no . . .
C194 C195 H195 109.409 no . . .
C196 C195 H195 109.415 no . . .
O186 C196 H196 109.043 no . . .
C195 C196 H196 109.021 no . . .
C197 C196 H196 109.023 no . . .
O199 C197 H197 109.081 no . . .
C196 C197 H197 109.103 no . . .
C198 C197 H197 109.103 no . . .
O206 C198 H19G 109.969 no . . .
O206 C198 H19H 109.980 no . . .
C197 C198 H19G 109.975 no . . .
C197 C198 H19H 109.980 no . . .
H19G C198 H19H 108.362 no . . .
O201 C202 H20A 109.471 no . . .
O201 C202 H20B 109.469 no . . .
O201 C202 H20C 109.480 no . . .
H20A C202 H20B 109.474 no . . .
H20A C202 H20C 109.461 no . . .
H20B C202 H20C 109.472 no . . .
O206 C207 H20D 109.478 no . . .
O206 C207 H20E 109.471 no . . .
O206 C207 H20F 109.482 no . . .
H20D C207 H20E 109.460 no . . .
H20D C207 H20F 109.470 no . . .
H20E C207 H20F 109.466 no . . .
O214 C208 H208 108.333 no . . .
O215 C208 H208 108.333 no . . .
C209 C208 H208 108.335 no . . .
O216 C209 H209 108.528 no . . .
C208 C209 H209 108.540 no . . .
C210 C209 H209 108.542 no . . .
O218 C210 H210 110.364 no . . .
C209 C210 H210 110.362 no . . .
C211 C210 H210 110.360 no . . .
O200 C211 H211 109.520 no . . .
C210 C211 H211 109.514 no . . .
C212 C211 H211 109.521 no . . .
O214 C212 H212 108.419 no . . .
C211 C212 H212 108.425 no . . .
C213 C212 H212 108.423 no . . .
O220 C213 H21A 109.876 no . . .
O220 C213 H21B 109.871 no . . .
C212 C213 H21A 109.878 no . . .
C212 C213 H21B 109.869 no . . .
H21A C213 H21B 108.294 no . . .
O216 C217 H21C 109.465 no . . .
O216 C217 H21D 109.476 no . . .
O216 C217 H21E 109.474 no . . .
H21C C217 H21D 109.469 no . . .
H21C C217 H21E 109.471 no . . .
H21D C217 H21E 109.473 no . . .
O218 C219 H21F 109.472 no . . .
O218 C219 H21G 109.466 no . . .
O218 C219 H21H 109.466 no . . .
H21F C219 H21G 109.477 no . . .
H21F C219 H21H 109.475 no . . .
H21G C219 H21H 109.471 no . . .
O220 C221 H22A 109.474 no . . .
O220 C221 H22B 109.466 no . . .
O220 C221 H22C 109.476 no . . .
H22A C221 H22B 109.471 no . . .
H22A C221 H22C 109.475 no . . .
H22B C221 H22C 109.465 no . . .
O228 C222 H222 109.003 no . . .
O229 C222 H222 109.010 no . . .
C223 C222 H222 109.012 no . . .
O230 C223 H223 108.040 no . . .
C222 C223 H223 108.038 no . . .
C224 C223 H223 108.034 no . . .
O232 C224 H224 109.492 no . . .
C223 C224 H224 109.508 no . . .
C225 C224 H224 109.498 no . . .
O215 C225 H225 109.243 no . . .
C224 C225 H225 109.237 no . . .
C226 C225 H225 109.243 no . . .
O228 C226 H226 109.745 no . . .
C225 C226 H226 109.748 no . . .
C227 C226 H226 109.763 no . . .
O234 C227 H22D 110.108 no . . .
O234 C227 H22E 110.119 no . . .
C226 C227 H22D 110.108 no . . .
C226 C227 H22E 110.122 no . . .
H22D C227 H22E 108.426 no . . .
O230 C231 H23A 109.471 no . . .
O230 C231 H23B 109.472 no . . .
O230 C231 H23C 109.471 no . . .
H23A C231 H23B 109.478 no . . .
H23A C231 H23C 109.471 no . . .
H23B C231 H23C 109.463 no . . .
O232 C233 H23D 109.475 no . . .
O232 C233 H23E 109.474 no . . .
O232 C233 H23F 109.472 no . . .
H23D C233 H23E 109.476 no . . .
H23D C233 H23F 109.473 no . . .
H23E C233 H23F 109.459 no . . .
O234 C235 H23G 109.464 no . . .
O234 C235 H23H 109.471 no . . .
O234 C235 H23I 109.471 no . . .
H23G C235 H23H 109.469 no . . .
H23G C235 H23I 109.476 no . . .
H23H C235 H23I 109.476 no . . .
O242 C236 H236 108.525 no . . .
O243 C236 H236 108.518 no . . .
C237 C236 H236 108.527 no . . .
O244 C237 H237 107.944 no . . .
C236 C237 H237 107.942 no . . .
C238 C237 H237 107.926 no . . .
O246 C238 H238 109.602 no . . .
C237 C238 H238 109.588 no . . .
C239 C238 H238 109.597 no . . .
O229 C239 H239 109.565 no . . .
C238 C239 H239 109.570 no . . .
C240 C239 H239 109.572 no . . .
O242 C240 H240 108.518 no . . .
C239 C240 H240 108.506 no . . .
C241 C240 H240 108.511 no . . .
O248 C241 H24A 109.959 no . . .
O248 C241 H24B 109.954 no . . .
C240 C241 H24A 109.962 no . . .
C240 C241 H24B 109.954 no . . .
H24A C241 H24B 108.338 no . . .
O244 C245 H24C 109.477 no . . .
O244 C245 H24D 109.481 no . . .
O244 C245 H24E 109.468 no . . .
H24C C245 H24D 109.474 no . . .
H24C C245 H24E 109.466 no . . .
H24D C245 H24E 109.462 no . . .
O246 C247 H24F 109.459 no . . .
O246 C247 H24G 109.473 no . . .
O246 C247 H24H 109.475 no . . .
H24F C247 H24G 109.478 no . . .
H24F C247 H24H 109.469 no . . .
H24G C247 H24H 109.473 no . . .
O248 C249 H24I 109.469 no . . .
O248 C249 H24J 109.470 no . . .
O248 C249 H24K 109.471 no . . .
H24I C249 H24J 109.464 no . . .
H24I C249 H24K 109.474 no . . .
H24J C249 H24K 109.479 no . . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O10 Al1 N2 C12 -83.9(5) no . . . .
O10 Al1 N2 C15 86.3(5) no . . . .
O10 Al1 N3 C17 -91.5(5) no . . . .
O10 Al1 N3 C20 90.2(5) no . . . .
O10 Al1 N4 C22 -89.6(5) no . . . .
O10 Al1 N4 C25 81.8(5) no . . . .
O10 Al1 N5 C27 -83.8(5) no . . . .
O10 Al1 N5 C30 88.1(5) no . . . .
O11 Al1 N2 C12 94.1(5) no . . . .
O11 Al1 N2 C15 -95.6(5) no . . . .
O11 Al1 N3 C17 91.6(5) no . . . .
O11 Al1 N3 C20 -86.7(5) no . . . .
O11 Al1 N4 C22 92.5(5) no . . . .
O11 Al1 N4 C25 -96.2(5) no . . . .
O11 Al1 N5 C27 93.0(5) no . . . .
O11 Al1 N5 C30 -95.1(5) no . . . .
N2 Al1 N3 C17 4.5(5) no . . . .
N2 Al1 N3 C20 -173.9(5) no . . . .
N3 Al1 N2 C12 179.9(4) no . . . .
N3 Al1 N2 C15 -9.8(5) no . . . .
N2 Al1 N5 C27 -179.9(5) no . . . .
N2 Al1 N5 C30 -8.0(5) no . . . .
N5 Al1 N2 C12 12.7(5) no . . . .
N5 Al1 N2 C15 -177.0(5) no . . . .
N3 Al1 N4 C22 6.7(5) no . . . .
N3 Al1 N4 C25 178.0(4) no . . . .
N4 Al1 N3 C17 176.7(5) no . . . .
N4 Al1 N3 C20 -1.7(5) no . . . .
N4 Al1 N5 C27 8.0(5) no . . . .
N4 Al1 N5 C30 180.0(5) no . . . .
N5 Al1 N4 C22 173.8(5) no . . . .
N5 Al1 N4 C25 -14.8(5) no . . . .
C52 O58 C56 C55 62.0(8) no . . . .
C52 O58 C56 C57 -172.5(6) no . . . .
C56 O58 C52 O59 59.2(9) no . . . .
C56 O58 C52 C53 -63.8(7) no . . . .
C52 O59 C69 C68 141.2(5) no . . . .
C52 O59 C69 C70 -97.4(6) no . . . .
C69 O59 C52 O58 110.6(6) no . . . .
C69 O59 C52 C53 -127.6(6) no . . . .
C61 O60 C53 C52 146.7(7) no . . . .
C61 O60 C53 C54 -91.9(9) no . . . .
C63 O62 C54 C53 -128.0(6) no . . . .
C63 O62 C54 C55 111.5(6) no . . . .
C65 O64 C57 C56 92.0(7) no . . . .
C66 O72 C70 C69 61.6(6) no . . . .
C66 O72 C70 C71 -171.4(5) no . . . .
C70 O72 C66 O73 60.7(7) no . . . .
C70 O72 C66 C67 -60.0(7) no . . . .
C66 O73 C83 C82 112.7(5) no . . . .
C66 O73 C83 C84 -125.3(5) no . . . .
C83 O73 C66 O72 94.4(7) no . . . .
C83 O73 C66 C67 -144.3(5) no . . . .
C75 O74 C67 C66 105.0(8) no . . . .
C75 O74 C67 C68 -131.2(8) no . . . .
C77 O76 C68 C67 -139.4(6) no . . . .
C77 O76 C68 C69 102.8(7) no . . . .
C79 O78 C71 C70 178.1(7) no . . . .
C80 O86 C84 C83 61.0(6) no . . . .
C80 O86 C84 C85 -176.4(5) no . . . .
C84 O86 C80 O87 60.9(7) no . . . .
C84 O86 C80 C81 -61.4(7) no . . . .
C80 O87 C97 C96 127.5(5) no . . . .
C80 O87 C97 C98 -110.4(6) no . . . .
C97 O87 C80 O86 95.3(7) no . . . .
C97 O87 C80 C81 -142.6(5) no . . . .
C89 O88 C81 C80 79.3(8) no . . . .
C89 O88 C81 C82 -155.7(6) no . . . .
C91 O90 C82 C81 -95.4(6) no . . . .
C91 O90 C82 C83 142.2(6) no . . . .
C93 O92 C85 C84 -178.3(7) no . . . .
C94 O100 C98 C97 58.1(7) no . . . .
C94 O100 C98 C99 -178.5(6) no . . . .
C98 O100 C94 O101 57.1(8) no . . . .
C98 O100 C94 C95 -64.6(7) no . . . .
C94 O101 C111 C110 150.8(5) no . . . .
C94 O101 C111 C112 -89.3(7) no . . . .
C111 O101 C94 O100 121.8(6) no . . . .
C111 O101 C94 C95 -118.4(6) no . . . .
C103 O102 C95 C94 79.8(9) no . . . .
C103 O102 C95 C96 -158.5(7) no . . . .
C105 O104 C96 C95 -100.5(6) no . . . .
C105 O104 C96 C97 140.2(5) no . . . .
C107 O106 C99 C98 -170.7(6) no . . . .
C108 O114 C112 C111 61.8(7) no . . . .
C108 O114 C112 C113 -173.8(5) no . . . .
C112 O114 C108 O115 62.1(8) no . . . .
C112 O114 C108 C109 -60.1(7) no . . . .
C108 O115 C125 C124 124.7(5) no . . . .
C108 O115 C125 C126 -114.5(5) no . . . .
C125 O115 C108 O114 100.4(6) no . . . .
C125 O115 C108 C109 -138.1(5) no . . . .
C117 O116 C109 C108 78.2(8) no . . . .
C117 O116 C109 C110 -156.5(7) no . . . .
C119 O118 C110 C109 -125.1(10) no . . . .
C119 O118 C110 C111 113.8(10) no . . . .
C121 O120 C113 C112 -177.6(7) no . . . .
C122 O128 C126 C125 57.1(8) no . . . .
C122 O128 C126 C127 -179.0(5) no . . . .
C126 O128 C122 O129 63.9(7) no . . . .
C126 O128 C122 C123 -58.0(8) no . . . .
C122 O129 C140 C139 110.5(6) no . . . .
C122 O129 C140 C141 -127.8(6) no . . . .
C140 O129 C122 O128 89.6(8) no . . . .
C140 O129 C122 C123 -147.9(6) no . . . .
C123 O130 C131 C132 -60(3) no . . . .
C131 O130 C123 C122 120.5(13) no . . . .
C131 O130 C123 C124 -115.5(13) no . . . .
C123 O130 C132 C131 131.1(16) no . . . .
C132 O130 C123 C122 93.3(11) no . . . .
C132 O130 C123 C124 -142.8(10) no . . . .
C131 O130 C132 C131 -0(2) no . . . .
C132 O130 C131 C132 0(2) no . . . .
C134 O133 C124 C123 -102.9(9) no . . . .
C134 O133 C124 C125 138.1(8) no . . . .
C136 O135 C127 C126 100.7(11) no . . . .
C137 O143 C141 C140 59.4(8) no . . . .
C137 O143 C141 C142 -177.0(6) no . . . .
C141 O143 C137 O144 53.8(7) no . . . .
C141 O143 C137 C138 -64.3(7) no . . . .
C55 O144 C137 O143 105.9(6) no . . . .
C55 O144 C137 C138 -135.5(5) no . . . .
C137 O144 C55 C54 152.8(5) no . . . .
C137 O144 C55 C56 -86.6(7) no . . . .
C146 O145 C138 C137 72.2(8) no . . . .
C146 O145 C138 C139 -164.2(7) no . . . .
C148 O147 C139 C138 -100.0(7) no . . . .
C148 O147 C139 C140 138.2(6) no . . . .
C150 O149 C142 C141 179.6(6) no . . . .
C151 O157 C155 C154 58.1(6) no . . . .
C151 O157 C155 C156 -178.9(4) no . . . .
C155 O157 C151 O158 59.2(6) no . . . .
C155 O157 C151 C152 -60.9(7) no . . . .
C151 O158 C168 C167 114.5(6) no . . . .
C151 O158 C168 C169 -122.9(6) no . . . .
C168 O158 C151 O157 90.7(7) no . . . .
C168 O158 C151 C152 -149.7(5) no . . . .
C160 O159 C152 C151 80.8(7) no . . . .
C160 O159 C152 C153 -155.0(5) no . . . .
C162 O161 C153 C152 -103.0(7) no . . . .
C162 O161 C153 C154 138.0(7) no . . . .
C164 O163 C156 C155 93.6(9) no . . . .
C165 O171 C169 C168 54.9(7) no . . . .
C165 O171 C169 C170 175.9(6) no . . . .
C169 O171 C165 O172 57.4(7) no . . . .
C169 O171 C165 C166 -63.8(7) no . . . .
C165 O172 C182 C181 147.0(6) no . . . .
C165 O172 C182 C183 -93.3(7) no . . . .
C182 O172 C165 O171 122.4(6) no . . . .
C182 O172 C165 C166 -118.0(6) no . . . .
C174 O173 C166 C165 68.7(8) no . . . .
C174 O173 C166 C167 -170.3(6) no . . . .
C176 O175 C167 C166 -98.8(6) no . . . .
C176 O175 C167 C168 140.3(5) no . . . .
C178 O177 C170 C169 -71.8(7) no . . . .
C179 O185 C183 C182 64.7(8) no . . . .
C179 O185 C183 C184 -171.0(6) no . . . .
C183 O185 C179 O186 62.2(8) no . . . .
C183 O185 C179 C180 -61.4(8) no . . . .
C179 O186 C196 C195 143.6(5) no . . . .
C179 O186 C196 C197 -94.4(6) no . . . .
C196 O186 C179 O185 109.1(6) no . . . .
C196 O186 C179 C180 -128.6(5) no . . . .
C188 O187 C180 C179 67.1(9) no . . . .
C188 O187 C180 C181 -168.8(7) no . . . .
C190 O189 C181 C180 -115.7(6) no . . . .
C190 O189 C181 C182 124.6(6) no . . . .
C192 O191 C184 C183 169.0(9) no . . . .
C193 O199 C197 C196 55.9(7) no . . . .
C193 O199 C197 C198 178.6(5) no . . . .
C197 O199 C193 O200 57.5(8) no . . . .
C197 O199 C193 C194 -61.7(7) no . . . .
C193 O200 C211 C210 111.3(5) no . . . .
C193 O200 C211 C212 -127.2(5) no . . . .
C211 O200 C193 O199 97.4(7) no . . . .
C211 O200 C193 C194 -144.0(5) no . . . .
C202 O201 C194 C193 95.1(10) no . . . .
C202 O201 C194 C195 -143.9(10) no . . . .
C195 O203 C204 C205 99.5(8) no . . . .
C204 O203 C195 C194 -142.4(8) no . . . .
C204 O203 C195 C196 98.8(9) no . . . .
C195 O203 C205 C204 -96.9(17) no . . . .
C205 O203 C195 C194 -101.6(15) no . . . .
C205 O203 C195 C196 139.6(15) no . . . .
C204 O203 C205 C204 0.0(9) no . . . .
C205 O203 C204 C205 -0.0(19) no . . . .
C207 O206 C198 C197 -179.7(8) no . . . .
C208 O214 C212 C211 52.0(7) no . . . .
C208 O214 C212 C213 176.2(5) no . . . .
C212 O214 C208 O215 62.8(8) no . . . .
C212 O214 C208 C209 -59.9(7) no . . . .
C208 O215 C225 C224 123.4(6) no . . . .
C208 O215 C225 C226 -114.7(6) no . . . .
C225 O215 C208 O214 100.1(7) no . . . .
C225 O215 C208 C209 -138.1(6) no . . . .
C217 O216 C209 C208 75.1(9) no . . . .
C217 O216 C209 C210 -163.1(8) no . . . .
C219 O218 C210 C209 -101.5(6) no . . . .
C219 O218 C210 C211 141.0(6) no . . . .
C221 O220 C213 C212 178.2(8) no . . . .
C222 O228 C226 C225 62.0(7) no . . . .
C222 O228 C226 C227 -176.8(6) no . . . .
C226 O228 C222 O229 55.9(8) no . . . .
C226 O228 C222 C223 -65.1(7) no . . . .
C222 O229 C239 C238 156.9(5) no . . . .
C222 O229 C239 C240 -83.2(7) no . . . .
C239 O229 C222 O228 116.0(6) no . . . .
C239 O229 C222 C223 -123.4(5) no . . . .
C231 O230 C223 C222 69.7(9) no . . . .
C231 O230 C223 C224 -166.9(7) no . . . .
C233 O232 C224 C223 -101.4(6) no . . . .
C233 O232 C224 C225 138.8(5) no . . . .
C235 O234 C227 C226 165.8(6) no . . . .
C236 O242 C240 C239 62.7(7) no . . . .
C236 O242 C240 C241 -172.8(5) no . . . .
C240 O242 C236 O243 62.3(7) no . . . .
C240 O242 C236 C237 -59.9(6) no . . . .
C154 O243 C236 O242 98.2(6) no . . . .
C154 O243 C236 C237 -140.0(4) no . . . .
C236 O243 C154 C153 124.9(4) no . . . .
C236 O243 C154 C155 -113.6(5) no . . . .
C245 O244 C237 C236 106.6(9) no . . . .
C245 O244 C237 C238 -128.9(8) no . . . .
C247 O246 C238 C237 -135.5(6) no . . . .
C247 O246 C238 C239 103.7(6) no . . . .
C249 O248 C241 C240 -172.6(7) no . . . .
Al1 N2 C12 C13 170.5(4) no . . . .
Al1 N2 C12 C31 -12.6(9) no . . . .
Al1 N2 C15 C14 -170.1(4) no . . . .
Al1 N2 C15 C16 10.9(10) no . . . .
C12 N2 C15 C14 1.8(7) no . . . .
C12 N2 C15 C16 -177.3(6) no . . . .
C15 N2 C12 C13 -1.5(7) no . . . .
C15 N2 C12 C31 175.4(6) no . . . .
Al1 N3 C17 C16 0.5(10) no . . . .
Al1 N3 C17 C18 -178.5(4) no . . . .
Al1 N3 C20 C19 178.2(4) no . . . .
Al1 N3 C20 C21 -2.4(9) no . . . .
C17 N3 C20 C19 -0.5(7) no . . . .
C17 N3 C20 C21 178.9(6) no . . . .
C20 N3 C17 C16 179.2(6) no . . . .
C20 N3 C17 C18 0.1(7) no . . . .
Al1 N4 C22 C21 -8.3(9) no . . . .
Al1 N4 C22 C23 170.9(4) no . . . .
Al1 N4 C25 C24 -170.7(4) no . . . .
Al1 N4 C25 C26 13.7(9) no . . . .
C22 N4 C25 C24 2.2(7) no . . . .
C22 N4 C25 C26 -173.4(6) no . . . .
C25 N4 C22 C21 178.9(6) no . . . .
C25 N4 C22 C23 -1.9(7) no . . . .
Al1 N5 C27 C26 0.8(9) no . . . .
Al1 N5 C27 C28 175.0(4) no . . . .
Al1 N5 C30 C29 -175.3(4) no . . . .
Al1 N5 C30 C31 2.1(9) no . . . .
C27 N5 C30 C29 -1.9(7) no . . . .
C27 N5 C30 C31 175.5(6) no . . . .
C30 N5 C27 C26 -172.6(6) no . . . .
C30 N5 C27 C28 1.5(7) no . . . .
C34 N6 C35 C36 -0.7(9) no . . . .
C35 N6 C34 C33 -0.1(9) no . . . .
C39 N7 C40 C41 2.5(14) no . . . .
C40 N7 C39 C38 -3.1(15) no . . . .
C44 N8 C45 C46 0.5(8) no . . . .
C45 N8 C44 C43 1.2(8) no . . . .
C49 N9 C50 C51 1.8(14) no . . . .
C50 N9 C49 C48 -2.5(15) no . . . .
N2 C12 C13 C14 0.7(7) no . . . .
N2 C12 C31 C30 2.7(10) no . . . .
N2 C12 C31 C47 -178.5(5) no . . . .
C13 C12 C31 C30 179.2(6) no . . . .
C13 C12 C31 C47 -2.0(10) no . . . .
C31 C12 C13 C14 -176.3(6) no . . . .
C12 C13 C14 C15 0.4(8) no . . . .
C13 C14 C15 N2 -1.4(8) no . . . .
C13 C14 C15 C16 177.6(6) no . . . .
N2 C15 C16 C17 -3.1(11) no . . . .
N2 C15 C16 C32 175.7(6) no . . . .
C14 C15 C16 C17 178.0(6) no . . . .
C14 C15 C16 C32 -3.2(10) no . . . .
C15 C16 C17 N3 -2.9(11) no . . . .
C15 C16 C17 C18 176.0(6) no . . . .
C15 C16 C32 C33 -70.8(8) no . . . .
C15 C16 C32 C36 109.5(7) no . . . .
C17 C16 C32 C33 108.0(6) no . . . .
C17 C16 C32 C36 -71.7(8) no . . . .
C32 C16 C17 N3 178.4(6) no . . . .
C32 C16 C17 C18 -2.7(10) no . . . .
N3 C17 C18 C19 0.3(8) no . . . .
C16 C17 C18 C19 -178.8(6) no . . . .
C17 C18 C19 C20 -0.6(8) no . . . .
C18 C19 C20 N3 0.7(8) no . . . .
C18 C19 C20 C21 -178.7(6) no . . . .
N3 C20 C21 C22 3.0(11) no . . . .
N3 C20 C21 C37 -179.1(6) no . . . .
C19 C20 C21 C22 -177.7(6) no . . . .
C19 C20 C21 C37 0.3(10) no . . . .
C20 C21 C22 N4 2.6(11) no . . . .
C20 C21 C22 C23 -176.4(6) no . . . .
C20 C21 C37 C38 -109.3(8) no . . . .
C20 C21 C37 C41 71.5(9) no . . . .
C22 C21 C37 C38 68.8(9) no . . . .
C22 C21 C37 C41 -110.4(8) no . . . .
C37 C21 C22 N4 -175.4(6) no . . . .
C37 C21 C22 C23 5.6(10) no . . . .
N4 C22 C23 C24 0.9(7) no . . . .
C21 C22 C23 C24 -179.9(6) no . . . .
C22 C23 C24 C25 0.4(7) no . . . .
C23 C24 C25 N4 -1.7(7) no . . . .
C23 C24 C25 C26 173.9(6) no . . . .
N4 C25 C26 C27 -0.2(10) no . . . .
N4 C25 C26 C42 179.7(5) no . . . .
C24 C25 C26 C27 -175.1(6) no . . . .
C24 C25 C26 C42 4.7(9) no . . . .
C25 C26 C27 N5 -7.4(10) no . . . .
C25 C26 C27 C28 179.3(6) no . . . .
C25 C26 C42 C43 64.3(7) no . . . .
C25 C26 C42 C46 -115.5(6) no . . . .
C27 C26 C42 C43 -115.9(6) no . . . .
C27 C26 C42 C46 64.4(8) no . . . .
C42 C26 C27 N5 172.7(5) no . . . .
C42 C26 C27 C28 -0.6(9) no . . . .
N5 C27 C28 C29 -0.7(7) no . . . .
C26 C27 C28 C29 173.5(6) no . . . .
C27 C28 C29 C30 -0.5(8) no . . . .
C28 C29 C30 N5 1.5(8) no . . . .
C28 C29 C30 C31 -175.9(6) no . . . .
N5 C30 C31 C12 2.9(10) no . . . .
N5 C30 C31 C47 -175.9(5) no . . . .
C29 C30 C31 C12 179.9(6) no . . . .
C29 C30 C31 C47 1.1(10) no . . . .
C12 C31 C47 C48 -80.0(9) no . . . .
C12 C31 C47 C51 101.4(8) no . . . .
C30 C31 C47 C48 98.9(8) no . . . .
C30 C31 C47 C51 -79.7(9) no . . . .
C16 C32 C33 C34 179.0(5) no . . . .
C16 C32 C36 C35 -179.7(5) no . . . .
C33 C32 C36 C35 0.6(8) no . . . .
C36 C32 C33 C34 -1.3(8) no . . . .
C32 C33 C34 N6 1.1(9) no . . . .
N6 C35 C36 C32 0.4(10) no . . . .
C21 C37 C38 C39 -176.4(7) no . . . .
C21 C37 C41 C40 175.8(7) no . . . .
C38 C37 C41 C40 -3.4(12) no . . . .
C41 C37 C38 C39 2.9(13) no . . . .
C37 C38 C39 N7 0.5(17) no . . . .
N7 C40 C41 C37 0.8(15) no . . . .
C26 C42 C43 C44 -178.7(4) no . . . .
C26 C42 C46 C45 -179.8(4) no . . . .
C43 C42 C46 C45 0.5(7) no . . . .
C46 C42 C43 C44 1.1(7) no . . . .
C42 C43 C44 N8 -2.1(9) no . . . .
N8 C45 C46 C42 -1.3(9) no . . . .
C31 C47 C48 C49 -176.1(7) no . . . .
C31 C47 C51 C50 175.5(7) no . . . .
C48 C47 C51 C50 -3.1(13) no . . . .
C51 C47 C48 C49 2.5(13) no . . . .
C47 C48 C49 N9 0.3(15) no . . . .
N9 C50 C51 C47 1.0(15) no . . . .
O58 C52 C53 O60 -176.7(5) no . . . .
O58 C52 C53 C54 58.9(7) no . . . .
O59 C52 C53 O60 59.8(8) no . . . .
O59 C52 C53 C54 -64.6(8) no . . . .
O60 C53 C54 O62 64.7(9) no . . . .
O60 C53 C54 C55 -174.3(7) no . . . .
C52 C53 C54 O62 -176.0(5) no . . . .
C52 C53 C54 C55 -55.1(8) no . . . .
O62 C54 C55 O144 -65.2(7) no . . . .
O62 C54 C55 C56 173.0(5) no . . . .
C53 C54 C55 O144 175.2(6) no . . . .
C53 C54 C55 C56 53.3(8) no . . . .
O144 C55 C56 O58 -173.8(5) no . . . .
O144 C55 C56 C57 65.5(7) no . . . .
C54 C55 C56 O58 -55.3(7) no . . . .
C54 C55 C56 C57 -176.1(5) no . . . .
O58 C56 C57 O64 -76.5(8) no . . . .
C55 C56 C57 O64 45.2(8) no . . . .
O72 C66 C67 O74 -179.9(5) no . . . .
O72 C66 C67 C68 57.6(7) no . . . .
O73 C66 C67 O74 58.1(8) no . . . .
O73 C66 C67 C68 -64.4(7) no . . . .
O74 C67 C68 O76 59.0(7) no . . . .
O74 C67 C68 C69 -180.0(5) no . . . .
C66 C67 C68 O76 -177.2(5) no . . . .
C66 C67 C68 C69 -56.2(7) no . . . .
O76 C68 C69 O59 -61.8(7) no . . . .
O76 C68 C69 C70 176.3(6) no . . . .
C67 C68 C69 O59 179.5(5) no . . . .
C67 C68 C69 C70 57.5(7) no . . . .
O59 C69 C70 O72 178.9(4) no . . . .
O59 C69 C70 C71 57.7(7) no . . . .
C68 C69 C70 O72 -60.4(7) no . . . .
C68 C69 C70 C71 178.3(6) no . . . .
O72 C70 C71 O78 -68.5(8) no . . . .
C69 C70 C71 O78 53.7(9) no . . . .
O86 C80 C81 O88 175.6(6) no . . . .
O86 C80 C81 C82 52.9(7) no . . . .
O87 C80 C81 O88 51.4(8) no . . . .
O87 C80 C81 C82 -71.4(6) no . . . .
O88 C81 C82 O90 68.8(6) no . . . .
O88 C81 C82 C83 -172.2(5) no . . . .
C80 C81 C82 O90 -165.5(4) no . . . .
C80 C81 C82 C83 -46.5(7) no . . . .
O90 C82 C83 O73 -74.1(7) no . . . .
O90 C82 C83 C84 166.0(5) no . . . .
C81 C82 C83 O73 165.6(5) no . . . .
C81 C82 C83 C84 45.8(8) no . . . .
O73 C83 C84 O86 -170.2(4) no . . . .
O73 C83 C84 C85 71.5(6) no . . . .
C82 C83 C84 O86 -50.9(7) no . . . .
C82 C83 C84 C85 -169.2(6) no . . . .
O86 C84 C85 O92 -63.8(7) no . . . .
C83 C84 C85 O92 57.0(8) no . . . .
O100 C94 C95 O102 -177.2(5) no . . . .
O100 C94 C95 C96 62.7(6) no . . . .
O101 C94 C95 O102 60.9(7) no . . . .
O101 C94 C95 C96 -59.2(6) no . . . .
O102 C95 C96 O104 66.2(7) no . . . .
O102 C95 C96 C97 -176.4(6) no . . . .
C94 C95 C96 O104 -171.9(4) no . . . .
C94 C95 C96 C97 -54.5(7) no . . . .
O104 C96 C97 O87 -73.1(7) no . . . .
O104 C96 C97 C98 166.9(5) no . . . .
C95 C96 C97 O87 167.2(6) no . . . .
C95 C96 C97 C98 47.2(8) no . . . .
O87 C97 C98 O100 -167.0(4) no . . . .
O87 C97 C98 C99 73.4(6) no . . . .
C96 C97 C98 O100 -47.9(7) no . . . .
C96 C97 C98 C99 -167.4(5) no . . . .
O100 C98 C99 O106 -73.3(7) no . . . .
C97 C98 C99 O106 49.0(8) no . . . .
O114 C108 C109 O116 177.2(5) no . . . .
O114 C108 C109 C110 54.2(7) no . . . .
O115 C108 C109 O116 55.1(7) no . . . .
O115 C108 C109 C110 -68.0(7) no . . . .
O116 C109 C110 O118 62.9(7) no . . . .
O116 C109 C110 C111 -175.9(5) no . . . .
C108 C109 C110 O118 -171.9(6) no . . . .
C108 C109 C110 C111 -50.7(8) no . . . .
O118 C110 C111 O101 -69.9(7) no . . . .
O118 C110 C111 C112 169.8(5) no . . . .
C109 C110 C111 O101 170.4(6) no . . . .
C109 C110 C111 C112 50.1(7) no . . . .
O101 C111 C112 O114 -173.4(5) no . . . .
O101 C111 C112 C113 66.4(7) no . . . .
C110 C111 C112 O114 -55.5(7) no . . . .
C110 C111 C112 C113 -175.7(5) no . . . .
O114 C112 C113 O120 -67.7(8) no . . . .
C111 C112 C113 O120 55.0(8) no . . . .
O128 C122 C123 O130 178.9(7) no . . . .
O128 C122 C123 C124 56.2(9) no . . . .
O129 C122 C123 O130 54.8(9) no . . . .
O129 C122 C123 C124 -67.9(9) no . . . .
O130 C123 C124 O133 63.3(8) no . . . .
O130 C123 C124 C125 -178.4(5) no . . . .
C122 C123 C124 O133 -172.6(6) no . . . .
C122 C123 C124 C125 -54.4(8) no . . . .
O133 C124 C125 O115 -69.3(7) no . . . .
O133 C124 C125 C126 171.5(6) no . . . .
C123 C124 C125 O115 172.1(5) no . . . .
C123 C124 C125 C126 52.8(8) no . . . .
O115 C125 C126 O128 -172.6(5) no . . . .
O115 C125 C126 C127 68.6(8) no . . . .
C124 C125 C126 O128 -53.3(9) no . . . .
C124 C125 C126 C127 -172.0(7) no . . . .
O128 C126 C127 O135 -68.1(8) no . . . .
C125 C126 C127 O135 53.7(11) no . . . .
O130 C131 C132 O130 -0.0(3) no . . . .
O143 C137 C138 O145 -176.6(5) no . . . .
O143 C137 C138 C139 60.3(7) no . . . .
O144 C137 C138 O145 63.0(7) no . . . .
O144 C137 C138 C139 -60.1(7) no . . . .
O145 C138 C139 O147 61.6(8) no . . . .
O145 C138 C139 C140 -178.2(6) no . . . .
C137 C138 C139 O147 -173.1(5) no . . . .
C137 C138 C139 C140 -53.0(8) no . . . .
O147 C139 C140 O129 -70.4(7) no . . . .
O147 C139 C140 C141 169.7(5) no . . . .
C138 C139 C140 O129 167.6(6) no . . . .
C138 C139 C140 C141 47.6(8) no . . . .
O129 C140 C141 O143 -169.0(5) no . . . .
O129 C140 C141 C142 71.0(7) no . . . .
C139 C140 C141 O143 -49.2(8) no . . . .
C139 C140 C141 C142 -169.1(6) no . . . .
O143 C141 C142 O149 80.6(8) no . . . .
C140 C141 C142 O149 -156.9(6) no . . . .
O157 C151 C152 O159 -179.6(6) no . . . .
O157 C151 C152 C153 58.2(7) no . . . .
O158 C151 C152 O159 58.1(8) no . . . .
O158 C151 C152 C153 -64.1(7) no . . . .
O159 C152 C153 O161 64.5(6) no . . . .
O159 C152 C153 C154 -178.1(4) no . . . .
C151 C152 C153 O161 -171.1(5) no . . . .
C151 C152 C153 C154 -53.7(7) no . . . .
O161 C153 C154 O243 -73.3(6) no . . . .
O161 C153 C154 C155 167.1(5) no . . . .
C152 C153 C154 O243 168.5(5) no . . . .
C152 C153 C154 C155 49.0(7) no . . . .
O243 C154 C155 O157 -170.0(5) no . . . .
O243 C154 C155 C156 71.1(7) no . . . .
C153 C154 C155 O157 -50.6(8) no . . . .
C153 C154 C155 C156 -169.5(6) no . . . .
O157 C155 C156 O163 -69.9(7) no . . . .
C154 C155 C156 O163 52.3(9) no . . . .
O171 C165 C166 O173 -176.5(5) no . . . .
O171 C165 C166 C167 63.4(6) no . . . .
O172 C165 C166 O173 61.6(7) no . . . .
O172 C165 C166 C167 -58.6(7) no . . . .
O173 C166 C167 O175 61.5(7) no . . . .
O173 C166 C167 C168 -179.0(5) no . . . .
C165 C166 C167 O175 -174.9(5) no . . . .
C165 C166 C167 C168 -55.3(7) no . . . .
O175 C167 C168 O158 -72.5(6) no . . . .
O175 C167 C168 C169 168.1(4) no . . . .
C166 C167 C168 O158 165.7(6) no . . . .
C166 C167 C168 C169 46.4(8) no . . . .
O158 C168 C169 O171 -164.0(4) no . . . .
O158 C168 C169 C170 77.4(6) no . . . .
C167 C168 C169 O171 -44.5(7) no . . . .
C167 C168 C169 C170 -163.1(5) no . . . .
O171 C169 C170 O177 92.6(7) no . . . .
C168 C169 C170 O177 -145.2(6) no . . . .
O185 C179 C180 O187 173.3(6) no . . . .
O185 C179 C180 C181 52.9(8) no . . . .
O186 C179 C180 O187 49.4(8) no . . . .
O186 C179 C180 C181 -70.9(7) no . . . .
O187 C180 C181 O189 67.5(8) no . . . .
O187 C180 C181 C182 -173.8(6) no . . . .
C179 C180 C181 O189 -167.6(5) no . . . .
C179 C180 C181 C182 -48.9(9) no . . . .
O189 C181 C182 O172 -71.6(7) no . . . .
O189 C181 C182 C183 168.9(5) no . . . .
C180 C181 C182 O172 170.6(6) no . . . .
C180 C181 C182 C183 51.1(8) no . . . .
O172 C182 C183 O185 -174.0(5) no . . . .
O172 C182 C183 C184 67.1(7) no . . . .
C181 C182 C183 O185 -57.1(7) no . . . .
C181 C182 C183 C184 -175.9(6) no . . . .
O185 C183 C184 O191 -65.4(8) no . . . .
C182 C183 C184 O191 55.0(8) no . . . .
O199 C193 C194 O201 -175.5(6) no . . . .
O199 C193 C194 C195 63.4(7) no . . . .
O200 C193 C194 O201 63.4(8) no . . . .
O200 C193 C194 C195 -57.7(7) no . . . .
O201 C194 C195 O203 55.3(8) no . . . .
O201 C194 C195 C196 176.2(5) no . . . .
C193 C194 C195 O203 178.1(5) no . . . .
C193 C194 C195 C196 -61.0(7) no . . . .
O203 C195 C196 O186 -63.0(7) no . . . .
O203 C195 C196 C197 175.8(5) no . . . .
C194 C195 C196 O186 176.4(5) no . . . .
C194 C195 C196 C197 55.2(7) no . . . .
O186 C196 C197 O199 -171.7(5) no . . . .
O186 C196 C197 C198 69.6(7) no . . . .
C195 C196 C197 O199 -51.8(8) no . . . .
C195 C196 C197 C198 -170.4(6) no . . . .
O199 C197 C198 O206 69.8(7) no . . . .
C196 C197 C198 O206 -169.2(6) no . . . .
O203 C204 C205 O203 -0.0(3) no . . . .
O214 C208 C209 O216 -175.0(6) no . . . .
O214 C208 C209 C210 63.6(6) no . . . .
O215 C208 C209 O216 61.2(9) no . . . .
O215 C208 C209 C210 -60.3(7) no . . . .
O216 C209 C210 O218 60.4(7) no . . . .
O216 C209 C210 C211 177.2(6) no . . . .
C208 C209 C210 O218 -176.0(4) no . . . .
C208 C209 C210 C211 -59.2(7) no . . . .
O218 C210 C211 O200 -71.5(7) no . . . .
O218 C210 C211 C212 169.8(5) no . . . .
C209 C210 C211 O200 169.5(6) no . . . .
C209 C210 C211 C212 50.8(8) no . . . .
O200 C211 C212 O214 -166.0(4) no . . . .
O200 C211 C212 C213 74.6(6) no . . . .
C210 C211 C212 O214 -46.8(7) no . . . .
C210 C211 C212 C213 -166.1(6) no . . . .
O214 C212 C213 O220 -58.6(7) no . . . .
C211 C212 C213 O220 65.1(8) no . . . .
O228 C222 C223 O230 -177.7(5) no . . . .
O228 C222 C223 C224 59.7(6) no . . . .
O229 C222 C223 O230 60.4(7) no . . . .
O229 C222 C223 C224 -62.1(6) no . . . .
O230 C223 C224 O232 63.7(7) no . . . .
O230 C223 C224 C225 -177.4(6) no . . . .
C222 C223 C224 O232 -171.6(4) no . . . .
C222 C223 C224 C225 -52.7(7) no . . . .
O232 C224 C225 O215 -67.6(7) no . . . .
O232 C224 C225 C226 171.7(5) no . . . .
C223 C224 C225 O215 171.4(6) no . . . .
C223 C224 C225 C226 50.7(8) no . . . .
O215 C225 C226 O228 -172.5(4) no . . . .
O215 C225 C226 C227 69.9(6) no . . . .
C224 C225 C226 O228 -53.6(7) no . . . .
C224 C225 C226 C227 -171.2(5) no . . . .
O228 C226 C227 O234 55.1(8) no . . . .
C225 C226 C227 O234 173.9(6) no . . . .
O242 C236 C237 O244 175.3(5) no . . . .
O242 C236 C237 C238 52.3(7) no . . . .
O243 C236 C237 O244 52.3(7) no . . . .
O243 C236 C237 C238 -70.6(7) no . . . .
O244 C237 C238 O246 65.2(7) no . . . .
O244 C237 C238 C239 -174.8(5) no . . . .
C236 C237 C238 O246 -170.7(5) no . . . .
C236 C237 C238 C239 -50.7(8) no . . . .
O246 C238 C239 O229 -68.4(6) no . . . .
O246 C238 C239 C240 170.3(5) no . . . .
C237 C238 C239 O229 173.6(5) no . . . .
C237 C238 C239 C240 52.2(7) no . . . .
O229 C239 C240 O242 -174.7(5) no . . . .
O229 C239 C240 C241 64.6(7) no . . . .
C238 C239 C240 O242 -56.9(7) no . . . .
C238 C239 C240 C241 -177.6(5) no . . . .
O242 C240 C241 O248 -71.8(7) no . . . .
C239 C240 C241 O248 49.8(8) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Al1 C16 3.443(9) no . .
Al1 C21 3.445(5) no . .
Al1 C26 3.410(8) no . .
Al1 C31 3.439(5) no . .
O10 C25 3.511(9) no . .
O11 C20 3.597(10) no . .
O11 C27 3.522(12) no . .
O11 C30 3.558(10) no . .
O58 O60 3.559(6) no . .
O58 O64 3.007(8) no . .
O58 O78 3.261(9) no . .
O58 C54 2.822(8) no . .
O58 C65 3.149(9) no . .
O58 C69 3.340(10) no . .
O58 C71 3.167(11) no . .
O59 O60 2.739(9) no . .
O59 O76 2.857(6) no . .
O59 O78 3.434(6) no . .
O59 C54 2.924(11) no . .
O59 C55 3.454(10) no . .
O59 C56 2.815(9) no . .
O59 C71 3.004(8) no . .
O59 C77 3.185(8) no . .
O60 O62 2.932(11) no . .
O60 O76 3.215(10) no . .
O60 C69 3.491(12) no . .
O60 C77 3.240(12) no . .
O62 O144 2.826(7) no . .
O62 C61 3.134(12) no . .
O64 O143 3.325(7) no . .
O64 O144 3.460(6) no . .
O64 C55 2.916(7) no . .
O64 C137 3.207(8) no . .
O72 O78 2.850(7) no . .
O72 O92 3.562(8) no . .
O72 C68 2.880(8) no . .
O72 C83 3.216(9) no . .
O72 C85 3.451(9) no . .
O73 O74 2.812(6) no . .
O73 O90 2.888(7) no . .
O73 C68 2.929(10) no . .
O73 C69 3.462(10) no . .
O73 C70 2.823(9) no . .
O73 C85 3.038(7) no . .
O74 O76 2.774(9) no . .
O74 O90 3.316(8) no . .
O74 C91 3.282(10) no . .
O76 C75 3.543(17) no . .
O78 C52 3.283(10) no . .
O78 C69 2.934(7) no . .
O86 O92 2.792(7) no . .
O86 O106 3.331(7) no . .
O86 C82 2.860(7) no . .
O86 C97 3.227(8) no . .
O86 C99 3.208(9) no . .
O86 C107 3.518(10) no . .
O87 O88 2.815(7) no . .
O87 O104 2.872(7) no . .
O87 O106 3.519(6) no . .
O87 C82 3.044(8) no . .
O87 C83 3.524(8) no . .
O87 C84 2.882(8) no . .
O87 C99 3.059(8) no . .
O88 O90 2.862(7) no . .
O88 O104 3.411(7) no . .
O88 C91 3.069(9) no . .
O88 C105 3.484(10) no . .
O90 C66 3.376(9) no . .
O92 C83 2.905(6) no . .
O100 O106 2.897(7) no . .
O100 C96 2.868(8) no . .
O100 C111 3.433(8) no . .
O100 C113 3.352(10) no . .
O101 O102 2.875(9) no . .
O101 O118 2.870(5) no . .
O101 O120 3.535(7) no . .
O101 C96 2.897(10) no . .
O101 C97 3.391(9) no . .
O101 C98 2.801(8) no . .
O101 C113 3.044(9) no . .
O101 C119 3.347(10) no . .
O102 O104 2.860(8) no . .
O102 O118 3.434(9) no . .
O102 C105 3.138(11) no . .
O102 C111 3.508(11) no . .
O104 C80 3.570(8) no . .
O104 C89 3.329(11) no . .
O106 C80 3.579(8) no . .
O106 C97 2.828(6) no . .
O114 O120 2.831(8) no . .
O114 O135 3.377(10) no . .
O114 C110 2.868(8) no . .
O114 C125 3.247(10) no . .
O114 C127 3.267(12) no . .
O115 O116 2.839(6) no . .
O115 O133 2.867(7) no . .
O115 O135 3.561(9) no . .
O115 C110 3.022(10) no . .
O115 C111 3.515(11) no . .
O115 C112 2.826(9) no . .
O115 C127 3.021(9) no . .
O116 O118 2.793(9) no . .
O116 O133 3.234(10) no . .
O116 C119 3.45(2) no . .
O116 C134 3.348(15) no . .
O120 C94 3.362(10) no . .
O120 C111 2.900(8) no . .
O128 O135 2.855(10) no . .
O128 C124 2.870(8) no . .
O128 C136 3.075(16) no . .
O128 C140 3.156(10) no . .
O128 C142 3.468(9) no . .
O129 O130 2.791(6) no . .
O129 O147 2.882(9) no . .
O129 C124 2.970(9) no . .
O129 C125 3.522(10) no . .
O129 C126 2.908(11) no . .
O129 C142 3.014(7) no . .
O130 O133 2.810(10) no . .
O130 O147 3.389(9) no . .
O130 C134 3.133(15) no . .
O130 C148 3.319(13) no . .
O133 C108 3.539(10) no . .
O133 C117 3.220(13) no . .
O133 C131 3.38(3) no . .
O135 C125 2.932(9) no . .
O143 O149 2.944(9) no . .
O143 C55 3.325(9) no . .
O143 C56 3.553(9) no . .
O143 C57 3.091(10) no . .
O143 C139 2.855(7) no . .
O144 O145 2.874(8) no . .
O144 C57 3.068(8) no . .
O144 C63 3.273(8) no . .
O144 C139 2.845(9) no . .
O144 C140 3.356(9) no . .
O144 C141 2.771(9) no . .
O145 O147 2.842(8) no . .
O145 C148 3.127(9) no . .
O147 C122 3.334(11) no . .
O147 C132 3.55(3) no . .
O157 O163 2.893(8) no . .
O157 C153 2.866(7) no . .
O157 C164 3.071(15) no . .
O157 C168 3.184(9) no . .
O157 C170 3.355(8) no . .
O158 O159 2.823(6) no . .
O158 O175 2.892(8) no . .
O158 C153 2.930(8) no . .
O158 C154 3.454(9) no . .
O158 C155 2.854(9) no . .
O158 C170 3.043(7) no . .
O159 O161 2.825(8) no . .
O159 O175 3.493(7) no . .
O159 C162 3.128(11) no . .
O159 C176 3.460(11) no . .
O161 O243 2.899(7) no . .
O161 O244 3.298(9) no . .
O161 C236 3.557(9) no . .
O163 O242 3.374(9) no . .
O163 O243 3.570(7) no . .
O163 C154 2.912(8) no . .
O171 O177 3.197(9) no . .
O171 C167 2.869(7) no . .
O171 C178 3.128(12) no . .
O171 C182 3.450(8) no . .
O171 C184 3.412(10) no . .
O172 O173 2.923(8) no . .
O172 O189 2.882(7) no . .
O172 O191 3.552(6) no . .
O172 C167 2.871(9) no . .
O172 C168 3.371(9) no . .
O172 C169 2.820(8) no . .
O172 C184 3.039(8) no . .
O172 C190 3.505(8) no . .
O173 O175 2.832(7) no . .
O173 O189 3.341(8) no . .
O173 C176 3.081(8) no . .
O173 C182 3.572(10) no . .
O175 C151 3.403(9) no . .
O175 C160 3.429(10) no . .
O185 O191 2.779(8) no . .
O185 C181 2.842(7) no . .
O185 C196 3.341(10) no . .
O185 C198 3.198(10) no . .
O186 O187 2.839(8) no . .
O186 O203 2.825(7) no . .
O186 C181 3.064(10) no . .
O186 C182 3.546(10) no . .
O186 C183 2.856(9) no . .
O186 C188 3.444(10) no . .
O186 C198 3.068(8) no . .
O186 C204 3.105(12) no . .
O187 O189 2.776(8) no . .
O187 O203 3.324(10) no . .
O187 C190 3.278(11) no . .
O187 C204 3.091(18) no . .
O191 C165 3.421(9) no . .
O191 C182 2.885(7) no . .
O199 O206 2.812(7) no . .
O199 C195 2.871(8) no . .
O199 C211 3.232(9) no . .
O199 C213 3.547(10) no . .
O200 O201 2.874(6) no . .
O200 O218 2.863(8) no . .
O200 C195 2.822(10) no . .
O200 C196 3.385(10) no . .
O200 C197 2.828(9) no . .
O200 C213 3.061(7) no . .
O201 O203 2.767(11) no . .
O201 O218 3.288(9) no . .
O201 C205 3.09(4) no . .
O201 C219 3.242(12) no . .
O203 C188 3.378(14) no . .
O206 C213 3.550(11) no . .
O206 C221 3.579(16) no . .
O214 O220 2.691(8) no . .
O214 C210 2.882(7) no . .
O214 C225 3.270(8) no . .
O214 C227 3.325(10) no . .
O215 O216 2.889(9) no . .
O215 O232 2.824(7) no . .
O215 C210 2.886(9) no . .
O215 C211 3.444(9) no . .
O215 C212 2.894(8) no . .
O215 C227 3.042(9) no . .
O216 O218 2.823(9) no . .
O216 O232 3.166(8) no . .
O216 C219 3.123(11) no . .
O216 C233 3.294(10) no . .
O218 C193 3.331(9) no . .
O218 C202 3.598(15) no . .
O220 C211 2.966(7) no . .
O228 O234 2.689(7) no . .
O228 O248 3.596(7) no . .
O228 C224 2.857(8) no . .
O228 C239 3.387(8) no . .
O228 C241 3.215(10) no . .
O229 O230 2.865(8) no . .
O229 O246 2.854(5) no . .
O229 O248 3.442(7) no . .
O229 C224 2.900(10) no . .
O229 C225 3.390(9) no . .
O229 C226 2.772(8) no . .
O229 C231 3.586(12) no . .
O229 C241 3.057(8) no . .
O229 C247 3.163(7) no . .
O230 O232 2.850(7) no . .
O230 C233 3.161(10) no . .
O230 C239 3.593(10) no . .
O232 C208 3.487(8) no . .
O232 C217 3.277(15) no . .
O242 O248 2.886(8) no . .
O242 C154 3.250(10) no . .
O242 C156 3.240(10) no . .
O242 C238 2.838(8) no . .
O243 O244 2.775(6) no . .
O243 C156 3.039(8) no . .
O243 C238 3.024(10) no . .
O243 C239 3.547(10) no . .
O243 C240 2.870(9) no . .
O244 O246 2.813(9) no . .
O244 C162 3.347(12) no . .
O246 C245 3.494(15) no . .
O248 C222 3.181(9) no . .
O248 C239 2.845(7) no . .
N2 C17 2.973(7) no . .
N2 C30 2.984(9) no . .
N3 C15 2.963(7) no . .
N3 C22 2.974(10) no . .
N4 C20 2.985(10) no . .
N4 C27 2.981(7) no . .
N5 C12 2.970(9) no . .
N5 C25 2.972(7) no . .
N6 C32 2.820(12) no . .
N7 C37 2.819(7) no . .
N8 C42 2.809(11) no . .
N9 C47 2.790(7) no . .
C12 C16 3.548(9) no . .
C12 C48 3.245(9) no . .
C12 C51 3.421(9) no . .
C13 C16 3.564(8) no . .
C13 C47 2.919(11) no . .
C13 C48 3.406(11) no . .
C14 C31 3.555(11) no . .
C14 C32 2.895(9) no . .
C14 C33 3.241(11) no . .
C15 C31 3.538(10) no . .
C15 C33 3.160(12) no . .
C15 C36 3.478(11) no . .
C16 C19 3.573(8) no . .
C16 C20 3.537(9) no . .
C17 C21 3.538(10) no . .
C17 C33 3.457(11) no . .
C17 C36 3.217(12) no . .
C18 C21 3.559(11) no . .
C18 C32 2.916(9) no . .
C18 C36 3.302(11) no . .
C19 C37 2.922(11) no . .
C19 C41 3.309(10) no . .
C20 C38 3.476(10) no . .
C20 C41 3.240(8) no . .
C21 C24 3.575(11) no . .
C21 C25 3.559(10) no . .
C22 C26 3.551(9) no . .
C22 C38 3.131(9) no . .
C22 C41 3.484(9) no . .
C23 C26 3.571(7) no . .
C23 C37 2.895(11) no . .
C23 C38 3.221(11) no . .
C24 C42 2.919(8) no . .
C24 C43 3.174(10) no . .
C25 C43 3.113(11) no . .
C25 C46 3.543(10) no . .
C26 C29 3.572(7) no . .
C26 C30 3.540(8) no . .
C27 C31 3.549(9) no . .
C27 C43 3.515(10) no . .
C27 C46 3.182(11) no . .
C28 C31 3.573(11) no . .
C28 C42 2.919(8) no . .
C28 C46 3.193(10) no . .
C29 C47 2.895(10) no . .
C29 C51 3.358(11) no . .
C30 C48 3.379(9) no . .
C30 C51 3.251(8) no . .
C33 C35 2.699(11) no . .
C34 C36 2.706(11) no . .
C38 C40 2.682(11) no . .
C39 C41 2.675(12) no . .
C43 C45 2.700(11) no . .
C44 C46 2.711(11) no . .
C48 C50 2.680(11) no . .
C49 C51 2.669(11) no . .
C52 C55 2.864(12) no . .
C52 C61 3.553(12) no . .
C52 C70 3.307(13) no . .
C52 C71 3.307(12) no . .
C53 C56 2.852(9) no . .
C53 C63 3.503(12) no . .
C53 C69 3.539(13) no . .
C54 C61 3.281(12) no . .
C55 C63 3.384(9) no . .
C55 C138 3.594(11) no . .
C56 C65 3.234(9) no . .
C56 C137 3.246(11) no . .
C57 C137 3.217(11) no . .
C66 C69 2.856(12) no . .
C66 C75 3.313(10) no . .
C66 C82 3.404(10) no . .
C66 C84 3.522(10) no . .
C67 C70 2.845(9) no . .
C67 C77 3.568(12) no . .
C68 C75 3.509(15) no . .
C69 C77 3.315(9) no . .
C75 C91 3.504(14) no . .
C80 C83 2.912(10) no . .
C80 C89 3.120(12) no . .
C80 C96 3.514(9) no . .
C80 C98 3.395(10) no . .
C80 C99 3.510(11) no . .
C81 C84 2.896(10) no . .
C81 C91 3.234(9) no . .
C83 C91 3.582(8) no . .
C89 C105 3.419(13) no . .
C94 C97 2.885(10) no . .
C94 C103 3.093(12) no . .
C94 C112 3.238(12) no . .
C94 C113 3.194(12) no . .
C95 C98 2.862(9) no . .
C95 C105 3.287(11) no . .
C95 C111 3.490(12) no . .
C97 C105 3.575(9) no . .
C108 C111 2.901(12) no . .
C108 C117 3.085(8) no . .
C108 C124 3.498(12) no . .
C108 C126 3.430(12) no . .
C108 C127 3.544(11) no . .
C109 C112 2.844(7) no . .
C109 C119 3.436(19) no . .
C111 C119 3.376(11) no . .
C117 C134 3.438(16) no . .
C122 C125 2.887(13) no . .
C122 C131 3.485(17) no . .
C122 C132 3.17(3) no . .
C122 C139 3.385(12) no . .
C122 C141 3.519(10) no . .
C123 C126 2.864(11) no . .
C123 C134 3.267(13) no . .
C124 C131 3.40(3) no . .
C124 C132 3.58(3) no . .
C125 C134 3.543(10) no . .
C126 C136 3.220(18) no . .
C131 C134 3.59(3) no . .
C131 C148 3.51(3) no . .
C132 C148 3.39(3) no . .
C137 C140 2.884(10) no . .
C137 C146 3.047(14) no . .
C138 C141 2.873(12) no . .
C138 C148 3.280(9) no . .
C140 C148 3.578(11) no . .
C151 C154 2.905(11) no . .
C151 C160 3.089(11) no . .
C151 C167 3.412(10) no . .
C151 C169 3.473(9) no . .
C152 C155 2.854(10) no . .
C152 C162 3.275(10) no . .
C153 C236 3.496(11) no . .
C154 C162 3.534(8) no . .
C155 C164 3.250(16) no . .
C155 C236 3.423(10) no . .
C156 C236 3.531(9) no . .
C160 C176 3.310(13) no . .
C165 C168 2.889(10) no . .
C165 C174 3.033(12) no . .
C165 C183 3.256(12) no . .
C165 C184 3.252(11) no . .
C166 C169 2.878(11) no . .
C166 C176 3.276(9) no . .
C166 C182 3.508(11) no . .
C168 C176 3.567(10) no . .
C169 C178 3.039(11) no . .
C179 C182 2.887(11) no . .
C179 C188 2.996(10) no . .
C179 C197 3.301(12) no . .
C179 C198 3.294(11) no . .
C180 C183 2.861(9) no . .
C180 C190 3.378(11) no . .
C180 C196 3.587(13) no . .
C182 C190 3.479(8) no . .
C193 C196 2.876(12) no . .
C193 C202 3.227(12) no . .
C193 C210 3.384(11) no . .
C193 C212 3.510(10) no . .
C194 C197 2.868(9) no . .
C194 C205 3.28(3) no . .
C195 C202 3.552(19) no . .
C196 C204 3.331(13) no . .
C196 C205 3.57(2) no . .
C202 C219 3.449(17) no . .
C208 C211 2.885(11) no . .
C208 C217 3.033(16) no . .
C208 C224 3.496(9) no . .
C208 C226 3.457(11) no . .
C208 C227 3.559(12) no . .
C209 C212 2.853(11) no . .
C209 C219 3.287(10) no . .
C211 C219 3.556(8) no . .
C217 C233 3.571(15) no . .
C222 C225 2.860(10) no . .
C222 C231 2.987(12) no . .
C222 C240 3.204(11) no . .
C222 C241 3.130(11) no . .
C223 C226 2.880(10) no . .
C223 C233 3.293(10) no . .
C223 C239 3.518(11) no . .
C225 C233 3.569(9) no . .
C236 C239 2.901(11) no . .
C236 C245 3.309(10) no . .
C237 C240 2.868(7) no . .
C237 C247 3.541(12) no . .
C238 C245 3.459(13) no . .
C239 C247 3.315(9) no . .
O10 O244 3.394(7) no . .
O10 O250 2.809(10) no . .
O11 O116 3.499(10) no . .
O11 O251 3.00(6) no . .
O11 O252 2.87(3) no . .
O11 C134 3.398(17) no . .
O11 C204 3.388(14) no . .
O11 C205 3.19(3) no . .
O58 C188 3.599(10) no . 1_656
O62 C45 3.388(9) no . 1_556
O64 O177 3.337(7) no . 1_666
O64 C170 3.526(8) no . 1_666
O64 C178 3.526(10) no . 1_666
O74 O250 2.909(8) no . .
O78 O203 3.470(8) no . 1_656
O78 C194 3.505(10) no . 1_656
O86 C131 3.47(3) no . 1_655
O86 C132 3.16(3) no . 1_655
O87 C23 3.423(8) no . .
O87 C24 3.589(7) no . .
O90 C34 3.372(9) no . 1_655
O92 C131 3.53(3) no . 1_655
O92 C132 2.95(3) no . 1_655
O104 C65 3.404(12) no . 1_554
O114 O242 3.206(6) no . 1_565
O114 C236 3.349(8) no . 1_565
O114 C237 3.543(9) no . 1_565
O116 O11 3.499(10) no . .
O116 O252 3.346(18) no . .
O118 O252 3.215(14) no . .
O129 C19 3.566(10) no . .
O133 C164 3.531(15) no . 1_565
O149 N7 3.209(11) no . .
O149 C40 3.442(12) no . .
O149 C178 3.413(9) no . 1_666
O161 C136 3.406(17) no . 1_545
O163 C117 3.522(12) no . 1_545
O173 C91 3.456(8) no . 1_455
O177 O64 3.337(7) no . 1_444
O177 N9 3.495(10) no . .
O177 C49 3.247(11) no . .
O177 C57 3.571(7) no . 1_444
O177 C65 3.457(11) no . 1_444
O185 C61 3.335(11) no . 1_454
O187 O251 3.20(5) no . .
O187 C89 3.505(12) no . 1_455
O189 C44 3.485(10) no . 1_455
O189 C91 3.590(11) no . 1_455
O191 C233 3.423(11) no . 1_455
O199 C67 3.571(9) no . 1_454
O201 O252 3.092(16) no . .
O203 O78 3.470(8) no . 1_454
O203 O251 3.51(6) no . .
O203 O252 3.251(17) no . .
O203 C79 3.382(11) no . 1_454
O214 C107 3.559(10) no . 1_444
O214 C160 3.537(11) no . 1_554
O218 C35 3.260(10) no . 1_554
O220 C160 3.372(14) no . 1_554
O232 C192 3.336(15) no . 1_655
O234 N9 3.354(10) no . .
O234 C49 3.334(12) no . .
O242 O114 3.206(6) no . 1_545
O242 C108 3.221(9) no . 1_545
O242 C109 3.560(9) no . 1_545
O244 O10 3.394(7) no . .
O248 C109 3.387(9) no . 1_545
O250 O10 2.809(10) no . .
O250 O74 2.909(8) no . .
O250 N4 3.399(11) no . .
O250 C24 3.579(12) no . .
O250 C25 3.264(12) no . .
O250 C75 3.559(15) no . .
O250 C91 3.424(12) no . .
O250 C247 3.385(9) no . .
O251 O11 3.00(6) no . .
O251 O187 3.20(5) no . .
O251 O203 3.51(6) no . .
O251 N2 3.10(6) no . .
O251 C12 3.21(6) no . .
O251 C13 3.48(6) no . .
O251 C14 3.50(6) no . .
O251 C15 3.24(6) no . .
O251 C134 3.19(5) no . .
O251 C190 3.30(7) no . .
O251 C204 2.04(7) no . .
O251 C205 2.75(7) no . .
O252 O11 2.87(3) no . .
O252 O116 3.346(18) no . .
O252 O118 3.215(14) no . .
O252 O201 3.092(16) no . .
O252 O203 3.251(17) no . .
O252 C119 2.74(2) no . .
O252 C204 3.10(3) no . .
O252 C205 2.20(4) no . .
N2 O251 3.10(6) no . .
N4 O250 3.399(11) no . .
N6 C148 3.561(9) no . .
N7 O149 3.209(11) no . .
N7 C150 3.266(12) no . .
N7 C235 3.457(9) no . 1_666
N8 C105 3.580(9) no . .
N9 O177 3.495(10) no . .
N9 O234 3.354(10) no . .
N9 C178 3.221(12) no . .
N9 C235 3.350(12) no . .
C12 O251 3.21(6) no . .
C13 O251 3.48(6) no . .
C14 O251 3.50(6) no . .
C15 O251 3.24(6) no . .
C19 O129 3.566(10) no . .
C23 O87 3.423(8) no . .
C24 O87 3.589(7) no . .
C24 O250 3.579(12) no . .
C25 O250 3.264(12) no . .
C25 C119 3.500(14) no . .
C27 C247 3.417(10) no . .
C28 C247 3.479(10) no . .
C33 C190 3.441(9) no . .
C34 O90 3.372(9) no . 1_455
C34 C176 3.598(10) no . .
C35 O218 3.260(10) no . 1_556
C36 C63 3.538(9) no . .
C40 O149 3.442(12) no . .
C44 O189 3.485(10) no . 1_655
C45 O62 3.388(9) no . 1_554
C45 C105 3.401(9) no . .
C46 C219 3.590(9) no . .
C49 O177 3.247(11) no . .
C49 O234 3.334(12) no . .
C49 C178 3.528(12) no . .
C57 O177 3.571(7) no . 1_666
C57 C178 3.381(10) no . 1_666
C61 O185 3.335(11) no . 1_656
C63 C36 3.538(9) no . .
C65 O104 3.404(12) no . 1_556
C65 O177 3.457(11) no . 1_666
C65 C105 3.595(14) no . 1_556
C67 O199 3.571(9) no . 1_656
C75 O250 3.559(15) no . .
C79 O203 3.382(11) no . 1_656
C79 C188 3.571(14) no . 1_656
C81 C131 3.586(18) no . 1_655
C89 O187 3.505(12) no . 1_655
C89 C188 3.506(15) no . 1_655
C91 O173 3.456(8) no . 1_655
C91 O189 3.590(11) no . 1_655
C91 O250 3.424(12) no . .
C91 C174 3.536(9) no . 1_655
C91 C190 3.503(13) no . 1_655
C103 C231 3.569(14) no . 1_565
C105 N8 3.580(9) no . .
C105 C45 3.401(9) no . .
C105 C65 3.595(14) no . 1_554
C107 O214 3.559(10) no . 1_666
C108 O242 3.221(9) no . 1_565
C109 O242 3.560(9) no . 1_565
C109 O248 3.387(9) no . 1_565
C117 O163 3.522(12) no . 1_565
C119 O252 2.74(2) no . .
C119 C25 3.500(14) no . .
C131 O86 3.47(3) no . 1_455
C131 O92 3.53(3) no . 1_455
C131 C81 3.586(18) no . 1_455
C132 O86 3.16(3) no . 1_455
C132 O92 2.95(3) no . 1_455
C134 O11 3.398(17) no . .
C134 O251 3.19(5) no . .
C136 O161 3.406(17) no . 1_565
C148 N6 3.561(9) no . .
C150 N7 3.266(12) no . .
C150 C178 3.481(13) no . 1_666
C160 O214 3.537(11) no . 1_556
C160 O220 3.372(14) no . 1_556
C164 O133 3.531(15) no . 1_545
C170 O64 3.526(8) no . 1_444
C174 C91 3.536(9) no . 1_455
C176 C34 3.598(10) no . .
C178 O64 3.526(10) no . 1_444
C178 O149 3.413(9) no . 1_444
C178 N9 3.221(12) no . .
C178 C49 3.528(12) no . .
C178 C57 3.381(10) no . 1_444
C178 C150 3.481(13) no . 1_444
C188 O58 3.599(10) no . 1_454
C188 C79 3.571(14) no . 1_454
C188 C89 3.506(15) no . 1_455
C190 O251 3.30(7) no . .
C190 C33 3.441(9) no . .
C190 C91 3.503(13) no . 1_455
C192 O232 3.336(15) no . 1_455
C192 C233 3.590(17) no . 1_455
C194 O78 3.505(10) no . 1_454
C204 O11 3.388(14) no . .
C204 O251 2.04(7) no . .
C204 O252 3.10(3) no . .
C205 O11 3.19(3) no . .
C205 O251 2.75(7) no . .
C205 O252 2.20(4) no . .
C219 C46 3.590(9) no . .
C231 C103 3.569(14) no . 1_545
C233 O191 3.423(11) no . 1_655
C233 C192 3.590(17) no . 1_655
C235 N7 3.457(9) no . 1_444
C235 N9 3.350(12) no . .
C236 O114 3.349(8) no . 1_545
C237 O114 3.543(9) no . 1_545
C247 O250 3.385(9) no . .
C247 C27 3.417(10) no . .
C247 C28 3.479(10) no . .
O58 H53 2.5613 no . .
O58 H54 3.2044 no . .
O58 H55 2.6546 no . .
O58 H57A 2.4573 no . .
O58 H57B 3.2125 no . .
O58 H65A 3.5297 no . .
O58 H65B 2.5263 no . .
O58 H69 3.4860 no . .
O58 H71B 2.4624 no . .
O58 H79A 3.0161 no . .
O59 H53 3.2451 no . .
O59 H54 2.6389 no . .
O59 H56 2.4466 no . .
O59 H68 2.6159 no . .
O59 H70 2.6643 no . .
O59 H71B 2.7716 no . .
O59 H77B 2.6005 no . .
O60 H52 2.5036 no . .
O60 H54 2.6670 no . .
O60 H63A 3.3493 no . .
O60 H69 3.3195 no . .
O60 H77B 2.8307 no . .
O60 H77C 3.1988 no . .
O62 H53 2.5747 no . .
O62 H55 2.5769 no . .
O62 H61A 2.5609 no . .
O62 H61B 3.4907 no . .
O64 H55 2.5882 no . .
O64 H56 3.2760 no . .
O64 H137 2.6099 no . .
O72 H67 2.6052 no . .
O72 H68 3.2298 no . .
O72 H69 2.6081 no . .
O72 H71A 2.5047 no . .
O72 H71B 3.2257 no . .
O72 H83 3.0894 no . .
O72 H85B 2.7697 no . .
O72 H93A 3.3144 no . .
O73 H67 3.2356 no . .
O73 H68 2.6366 no . .
O73 H70 2.4378 no . .
O73 H82 2.4757 no . .
O73 H84 2.5381 no . .
O73 H85B 2.7689 no . .
O73 H91B 3.5324 no . .
O74 H66 2.6426 no . .
O74 H68 2.6282 no . .
O74 H77A 3.4428 no . .
O74 H91B 2.8032 no . .
O74 H91C 3.2744 no . .
O76 H67 2.5622 no . .
O76 H69 2.6189 no . .
O76 H75A 3.2240 no . .
O78 H52 2.7765 no . .
O78 H69 2.6620 no . .
O78 H70 3.2229 no . .
O86 H10G 2.8656 no . .
O86 H81 2.6435 no . .
O86 H82 3.3280 no . .
O86 H83 2.7263 no . .
O86 H85A 2.5329 no . .
O86 H85B 3.2285 no . .
O86 H97 3.2011 no . .
O86 H99B 2.5175 no . .
O87 H10F 3.4637 no . .
O87 H81 3.2478 no . .
O87 H82 2.8686 no . .
O87 H84 2.5672 no . .
O87 H89B 3.3324 no . .
O87 H96 2.5051 no . .
O87 H98 2.5208 no . .
O87 H99B 2.8570 no . .
O88 H10D 3.5608 no . .
O88 H10F 2.9773 no . .
O88 H80 2.7271 no . .
O88 H82 2.5124 no . .
O88 H91A 2.4843 no . .
O88 H91B 3.4726 no . .
O90 H66 2.9625 no . .
O90 H75C 3.5756 no . .
O90 H81 2.4999 no . .
O90 H83 2.4578 no . .
O92 H83 2.5059 no . .
O92 H84 3.2494 no . .
O100 H11B 2.5083 no . .
O100 H12A 3.5194 no . .
O100 H95 2.5453 no . .
O100 H96 3.2978 no . .
O100 H97 2.7713 no . .
O100 H99A 2.4676 no . .
O100 H99B 3.2188 no . .
O101 H10B 3.5029 no . .
O101 H11B 2.7976 no . .
O101 H11F 3.4040 no . .
O101 H11G 3.1466 no . .
O101 H95 3.2647 no . .
O101 H96 2.6325 no . .
O101 H98 2.4804 no . .
O101 H110 2.4847 no . .
O101 H112 2.5961 no . .
O102 H10E 2.5315 no . .
O102 H11G 2.9764 no . .
O102 H94 2.6372 no . .
O102 H96 2.5629 no . .
O102 H111 3.1852 no . .
O104 H80 3.3074 no . .
O104 H89B 2.6515 no . .
O104 H89C 3.5396 no . .
O104 H95 2.5606 no . .
O104 H97 2.4674 no . .
O106 H80 3.3357 no . .
O106 H97 2.4022 no . .
O106 H98 3.2409 no . .
O114 H11A 2.5164 no . .
O114 H11B 3.2229 no . .
O114 H12E 2.5742 no . .
O114 H109 2.6222 no . .
O114 H110 3.2792 no . .
O114 H111 2.6983 no . .
O114 H125 3.2268 no . .
O115 H11D 3.3723 no . .
O115 H12E 2.7686 no . .
O115 H13B 3.4115 no . .
O115 H109 3.2511 no . .
O115 H110 2.7945 no . .
O115 H112 2.4665 no . .
O115 H124 2.5497 no . .
O115 H126 2.5608 no . .
O116 H11F 3.3133 no . .
O116 H11H 3.5824 no . .
O116 H13B 2.9249 no . .
O116 H13C 3.3692 no . .
O116 H108 2.6890 no . .
O116 H110 2.5659 no . .
O118 H109 2.5130 no . .
O118 H111 2.5515 no . .
O120 H94 2.5875 no . .
O120 H111 2.5491 no . .
O120 H112 3.2522 no . .
O128 H12D 2.4683 no . .
O128 H12E 3.1972 no . .
O128 H13E 2.4352 no . .
O128 H14A 2.5789 no . .
O128 H123 2.6199 no . .
O128 H124 3.2574 no . .
O128 H125 2.7236 no . .
O128 H140 2.9668 no . .
O129 H14A 2.6294 no . .
O129 H14G 3.4507 no . .
O129 H123 3.2426 no . .
O129 H124 2.7166 no . .
O129 H126 2.6164 no . .
O129 H139 2.5207 no . .
O129 H141 2.5208 no . .
O130 H13A 2.5473 no . .
O130 H14G 2.6321 no . .
O130 H14H 3.5638 no . .
O130 H122 2.6595 no . .
O130 H124 2.5855 no . .
O133 H11D 2.9393 no . .
O133 H11E 3.0128 no . .
O133 H108 3.3156 no . .
O133 H123 2.5279 no . .
O133 H125 2.5177 no . .
O135 H108 3.4330 no . .
O135 H125 2.5669 no . .
O135 H126 3.2607 no . .
O143 H14A 3.1848 no . .
O143 H14B 2.4094 no . .
O143 H55 3.5793 no . .
O143 H57B 2.3504 no . .
O143 H138 2.5519 no . .
O143 H139 3.2614 no . .
O143 H140 2.7427 no . .
O144 H14D 3.3891 no . .
O144 H54 2.5169 no . .
O144 H56 2.6233 no . .
O144 H57B 2.9096 no . .
O144 H63B 2.7965 no . .
O144 H138 3.2347 no . .
O144 H139 2.5514 no . .
O144 H141 2.4302 no . .
O145 H14F 2.5193 no . .
O145 H63B 3.0602 no . .
O145 H137 2.6671 no . .
O145 H139 2.5842 no . .
O147 H122 2.8670 no . .
O147 H138 2.5796 no . .
O147 H140 2.5186 no . .
O149 H57B 2.8907 no . .
O149 H126 3.5524 no . .
O149 H141 2.4142 no . .
O157 H15D 2.4788 no . .
O157 H15E 3.2082 no . .
O157 H16G 3.2922 no . .
O157 H16H 2.5749 no . .
O157 H17A 2.4271 no . .
O157 H152 2.5746 no . .
O157 H153 3.2940 no . .
O157 H154 2.7459 no . .
O157 H168 3.0441 no . .
O158 H16B 3.4279 no . .
O158 H17A 2.6646 no . .
O158 H17G 3.4727 no . .
O158 H152 3.2238 no . .
O158 H153 2.6956 no . .
O158 H155 2.5549 no . .
O158 H167 2.4968 no . .
O158 H169 2.4697 no . .
O159 H16D 2.5518 no . .
O159 H17G 2.7720 no . .
O159 H151 2.6724 no . .
O159 H153 2.5813 no . .
O161 H24C 3.3856 no . .
O161 H152 2.5326 no . .
O161 H154 2.4769 no . .
O161 H236 3.2899 no . .
O163 H154 2.5101 no . .
O163 H155 3.2776 no . .
O163 H236 3.4201 no . .
O171 H17A 3.1563 no . .
O171 H17B 2.3564 no . .
O171 H17I 2.6862 no . .
O171 H17J 3.0714 no . .
O171 H18B 2.5809 no . .
O171 H166 2.5447 no . .
O171 H167 3.2650 no . .
O171 H168 2.8095 no . .
O172 H17D 3.3116 no . .
O172 H18B 2.7835 no . .
O172 H19B 3.1141 no . .
O172 H166 3.2643 no . .
O172 H167 2.5684 no . .
O172 H169 2.5599 no . .
O172 H181 2.5072 no . .
O172 H183 2.5953 no . .
O173 H17F 2.4568 no . .
O173 H19B 3.2814 no . .
O173 H165 2.6869 no . .
O173 H167 2.5767 no . .
O173 H182 3.2811 no . .
O175 H16B 2.8783 no . .
O175 H16C 3.4648 no . .
O175 H151 2.9815 no . .
O175 H166 2.6207 no . .
O175 H168 2.4916 no . .
O177 H15D 3.3712 no . .
O177 H155 3.0922 no . .
O177 H169 2.5438 no . .
O185 H18A 2.5003 no . .
O185 H18B 3.2073 no . .
O185 H19G 2.2661 no . .
O185 H180 2.6359 no . .
O185 H181 3.2901 no . .
O185 H182 2.6427 no . .
O185 H196 3.5115 no . .
O186 H18D 3.0221 no . .
O186 H19G 2.7128 no . .
O186 H19H 3.5466 no . .
O186 H180 3.2661 no . .
O186 H181 2.8811 no . .
O186 H183 2.4924 no . .
O186 H195 2.5660 no . .
O186 H197 2.6064 no . .
O187 H19A 2.8142 no . .
O187 H179 2.7475 no . .
O187 H181 2.4914 no . .
O187 H196 3.5803 no . .
O189 H17D 3.4526 no . .
O189 H180 2.4712 no . .
O189 H182 2.5319 no . .
O191 H165 2.6826 no . .
O191 H182 2.5444 no . .
O191 H183 3.2280 no . .
O199 H19G 3.2129 no . .
O199 H19H 2.4854 no . .
O199 H21B 2.7592 no . .
O199 H194 2.5546 no . .
O199 H195 3.1851 no . .
O199 H196 2.7278 no . .
O199 H211 3.1186 no . .
O200 H21B 2.7586 no . .
O200 H21G 3.4669 no . .
O200 H194 3.2411 no . .
O200 H195 2.4582 no . .
O200 H197 2.5459 no . .
O200 H210 2.5311 no . .
O200 H212 2.4818 no . .
O201 H21G 2.7053 no . .
O201 H21H 3.3032 no . .
O201 H193 2.6490 no . .
O201 H195 2.6397 no . .
O203 H18D 2.8625 no . .
O203 H18E 3.4642 no . .
O203 H20A 3.5327 no . .
O203 H194 2.6406 no . .
O203 H196 2.5838 no . .
O206 H21B 2.6600 no . .
O206 H22A 2.7360 no . .
O206 H197 2.4789 no . .
O214 H21A 2.5566 no . .
O214 H21B 3.2206 no . .
O214 H22D 2.6082 no . .
O214 H22E 3.3475 no . .
O214 H209 2.5404 no . .
O214 H210 3.2527 no . .
O214 H211 2.8155 no . .
O214 H225 3.2388 no . .
O215 H21D 3.4107 no . .
O215 H22D 2.7910 no . .
O215 H22E 3.3386 no . .
O215 H23E 3.4082 no . .
O215 H209 3.2600 no . .
O215 H210 2.5767 no . .
O215 H212 2.6405 no . .
O215 H224 2.5346 no . .
O215 H226 2.5919 no . .
O216 H21F 2.5287 no . .
O216 H23E 2.8276 no . .
O216 H23F 3.3924 no . .
O216 H208 2.6308 no . .
O216 H210 2.6365 no . .
O218 H20B 3.2888 no . .
O218 H193 2.9351 no . .
O218 H209 2.6071 no . .
O218 H211 2.4827 no . .
O220 H211 2.5903 no . .
O220 H212 3.2110 no . .
O228 H22D 3.2480 no . .
O228 H22E 2.6262 no . .
O228 H24B 2.4043 no . .
O228 H24I 3.2018 no . .
O228 H223 2.5602 no . .
O228 H224 3.2704 no . .
O228 H225 2.6752 no . .
O229 H23B 3.2212 no . .
O229 H24B 2.8539 no . .
O229 H24F 2.6484 no . .
O229 H24H 3.5318 no . .
O229 H223 3.2402 no . .
O229 H224 2.6340 no . .
O229 H226 2.4347 no . .
O229 H238 2.4982 no . .
O229 H240 2.6423 no . .
O230 H23D 2.5691 no . .
O230 H24F 3.0010 no . .
O230 H222 2.6534 no . .
O230 H224 2.5785 no . .
O230 H239 3.2915 no . .
O232 H21D 2.6904 no . .
O232 H21E 3.5333 no . .
O232 H208 3.2649 no . .
O232 H223 2.5645 no . .
O232 H225 2.5191 no . .
O234 H24B 3.1754 no . .
O234 H226 2.6178 no . .
O242 H15E 2.5351 no . .
O242 H24A 2.5072 no . .
O242 H24B 3.2308 no . .
O242 H154 3.2196 no . .
O242 H237 2.6423 no . .
O242 H238 3.2579 no . .
O242 H239 2.6524 no . .
O243 H15E 2.7984 no . .
O243 H16E 3.4087 no . .
O243 H153 2.5160 no . .
O243 H155 2.5380 no . .
O243 H237 3.2412 no . .
O243 H238 2.8130 no . .
O243 H240 2.5114 no . .
O244 H16E 2.9324 no . .
O244 H16F 3.3085 no . .
O244 H24H 3.3835 no . .
O244 H236 2.6713 no . .
O244 H238 2.5610 no . .
O246 H24D 3.1433 no . .
O246 H237 2.4979 no . .
O246 H239 2.5576 no . .
O248 H23B 3.5026 no . .
O248 H222 2.3943 no . .
O248 H239 2.5088 no . .
O248 H240 3.2411 no . .
N2 H13 3.2227 no . .
N2 H14 3.2078 no . .
N3 H18 3.2109 no . .
N3 H19 3.2200 no . .
N4 H23 3.2138 no . .
N4 H24 3.2091 no . .
N5 H28 3.2175 no . .
N5 H29 3.2264 no . .
N6 H33 3.2610 no . .
N6 H36 3.2572 no . .
N7 H38 3.2300 no . .
N7 H41 3.2495 no . .
N8 H43 3.2435 no . .
N8 H46 3.2398 no . .
N9 H48 3.2385 no . .
N9 H51 3.2132 no . .
C12 H14 3.1641 no . .
C12 H48 3.2042 no . .
C12 H51 3.4992 no . .
C13 H48 3.3882 no . .
C14 H33 3.1866 no . .
C15 H13 3.1639 no . .
C15 H33 3.0903 no . .
C16 H14 2.7980 no . .
C16 H18 2.8031 no . .
C16 H33 2.6494 no . .
C16 H36 2.6961 no . .
C17 H19 3.1520 no . .
C17 H33 3.5679 no . .
C17 H36 3.1634 no . .
C18 H36 3.2470 no . .
C19 H41 3.2029 no . .
C20 H18 3.1421 no . .
C20 H38 3.5853 no . .
C20 H41 3.1744 no . .
C21 H19 2.7940 no . .
C21 H23 2.8260 no . .
C21 H38 2.6507 no . .
C21 H41 2.7044 no . .
C22 H24 3.1537 no . .
C22 H38 3.0744 no . .
C23 H38 3.1934 no . .
C24 H43 3.0541 no . .
C25 H23 3.1519 no . .
C25 H43 3.0060 no . .
C26 H24 2.8272 no . .
C26 H28 2.8194 no . .
C26 H43 2.6521 no . .
C26 H46 2.7235 no . .
C27 H29 3.1545 no . .
C27 H46 3.1048 no . .
C28 H46 3.0524 no . .
C29 H51 3.4246 no . .
C30 H28 3.1459 no . .
C30 H48 3.4809 no . .
C30 H51 3.2677 no . .
C31 H13 2.8047 no . .
C31 H29 2.8164 no . .
C31 H48 2.6522 no . .
C31 H51 2.6801 no . .
C32 H14 2.6826 no . .
C32 H18 2.7033 no . .
C32 H34 3.2483 no . .
C32 H35 3.2372 no . .
C33 H14 2.8480 no . .
C33 H18 3.4248 no . .
C33 H36 3.2183 no . .
C34 H35 3.1281 no . .
C35 H34 3.1305 no . .
C36 H14 3.4059 no . .
C36 H18 2.8774 no . .
C36 H33 3.2185 no . .
C37 H19 2.7181 no . .
C37 H23 2.6927 no . .
C37 H39 3.2320 no . .
C37 H40 3.2419 no . .
C38 H19 3.4831 no . .
C38 H23 2.8320 no . .
C38 H41 3.2151 no . .
C39 H23 3.5876 no . .
C39 H40 3.0917 no . .
C40 H39 3.0941 no . .
C41 H19 2.8842 no . .
C41 H23 3.4071 no . .
C41 H38 3.2173 no . .
C42 H24 2.7183 no . .
C42 H28 2.7195 no . .
C42 H44 3.2495 no . .
C42 H45 3.2340 no . .
C43 H24 2.7341 no . .
C43 H46 3.2429 no . .
C44 H24 3.5570 no . .
C44 H45 3.1412 no . .
C45 H28 3.5774 no . .
C45 H44 3.1430 no . .
C46 H24 3.5531 no . .
C46 H28 2.7000 no . .
C46 H43 3.2418 no . .
C47 H13 2.7186 no . .
C47 H29 2.6861 no . .
C47 H49 3.2152 no . .
C47 H50 3.2257 no . .
C48 H13 3.0093 no . .
C48 H29 3.3125 no . .
C48 H51 3.1986 no . .
C49 H50 3.1185 no . .
C50 H49 3.1131 no . .
C51 H13 3.3591 no . .
C51 H29 2.9194 no . .
C51 H48 3.1995 no . .
C52 H54 2.7130 no . .
C52 H55 3.2449 no . .
C52 H56 2.5536 no . .
C52 H69 2.4546 no . .
C52 H71B 2.9319 no . .
C52 H77B 3.5132 no . .
C53 H55 2.7253 no . .
C53 H56 3.1667 no . .
C53 H61A 2.6735 no . .
C53 H61B 2.5621 no . .
C53 H61C 3.2100 no . .
C53 H63A 3.4533 no . .
C53 H69 3.5152 no . .
C53 H77B 3.3499 no . .
C54 H52 3.3364 no . .
C54 H56 2.6807 no . .
C54 H61A 3.1079 no . .
C54 H63A 2.5163 no . .
C54 H63B 2.6995 no . .
C54 H63C 3.2135 no . .
C54 H77B 3.3118 no . .
C55 H53 2.6983 no . .
C55 H57A 3.3763 no . .
C55 H57B 2.8776 no . .
C55 H63B 3.3185 no . .
C55 H137 2.4857 no . .
C55 H141 3.5175 no . .
C56 H52 3.2237 no . .
C56 H53 3.1862 no . .
C56 H54 2.7238 no . .
C56 H65B 3.0064 no . .
C56 H71B 3.0719 no . .
C56 H137 3.2526 no . .
C56 H141 3.5999 no . .
C57 H55 2.7433 no . .
C57 H65A 2.5805 no . .
C57 H65B 2.5979 no . .
C57 H65C 3.2112 no . .
C57 H71B 3.3643 no . .
C57 H137 3.0418 no . .
C61 H52 3.5777 no . .
C61 H53 2.4501 no . .
C63 H54 2.3766 no . .
C63 H61A 3.0695 no . .
C63 H139 3.4948 no . .
C65 H55 3.3878 no . .
C65 H57A 2.4038 no . .
C65 H57B 3.1512 no . .
C65 H79A 3.4889 no . .
C66 H68 2.7385 no . .
C66 H69 3.1644 no . .
C66 H70 2.5468 no . .
C66 H75B 3.1054 no . .
C66 H83 2.4409 no . .
C66 H85B 3.2790 no . .
C67 H69 2.6326 no . .
C67 H70 3.1206 no . .
C67 H75A 2.6566 no . .
C67 H75B 2.4846 no . .
C67 H75C 3.1866 no . .
C68 H66 3.3656 no . .
C68 H70 2.6412 no . .
C68 H75A 3.5439 no . .
C68 H77A 2.5993 no . .
C68 H77B 2.5766 no . .
C68 H77C 3.2036 no . .
C69 H52 2.4037 no . .
C69 H67 2.6292 no . .
C69 H71A 3.4012 no . .
C69 H71B 2.8379 no . .
C69 H77B 3.1313 no . .
C70 H52 3.2772 no . .
C70 H66 3.2391 no . .
C70 H67 3.1756 no . .
C70 H68 2.7021 no . .
C70 H85B 2.8018 no . .
C71 H52 3.1955 no . .
C71 H69 2.8049 no . .
C71 H79A 2.6035 no . .
C71 H79B 2.4742 no . .
C71 H79C 3.1649 no . .
C71 H85B 3.0414 no . .
C71 H93A 3.3695 no . .
C75 H66 3.1609 no . .
C75 H67 2.3247 no . .
C75 H91B 3.2696 no . .
C75 H91C 3.0889 no . .
C77 H54 3.4913 no . .
C77 H68 2.3779 no . .
C79 H52 3.5884 no . .
C79 H71A 2.5200 no . .
C79 H71B 2.5482 no . .
C80 H82 2.8577 no . .
C80 H83 3.3517 no . .
C80 H84 2.6209 no . .
C80 H89A 3.3637 no . .
C80 H89B 2.9250 no . .
C80 H97 2.4259 no . .
C80 H99B 3.1142 no . .
C81 H83 2.8525 no . .
C81 H84 3.2458 no . .
C81 H89A 2.4863 no . .
C81 H89B 2.6839 no . .
C81 H89C 3.1829 no . .
C81 H91A 3.0532 no . .
C82 H66 3.2962 no . .
C82 H80 3.3839 no . .
C82 H84 2.7942 no . .
C82 H91A 2.6696 no . .
C82 H91B 2.5627 no . .
C82 H91C 3.2247 no . .
C83 H66 2.4735 no . .
C83 H70 3.4883 no . .
C83 H81 2.8010 no . .
C83 H85A 3.3789 no . .
C83 H85B 2.7650 no . .
C84 H70 3.5268 no . .
C84 H80 3.2473 no . .
C84 H81 3.2711 no . .
C84 H82 2.8460 no . .
C84 H99B 2.8054 no . .
C85 H10G 3.3069 no . .
C85 H70 3.1988 no . .
C85 H71A 3.3439 no . .
C85 H83 2.6544 no . .
C85 H93A 2.6931 no . .
C85 H93B 2.4631 no . .
C85 H93C 3.1741 no . .
C85 H99B 3.0750 no . .
C89 H10D 3.1451 no . .
C89 H10F 3.2487 no . .
C89 H80 2.9024 no . .
C89 H81 2.4307 no . .
C89 H91A 3.3855 no . .
C91 H75C 3.0111 no . .
C91 H81 3.5011 no . .
C91 H82 2.4161 no . .
C93 H71A 3.2331 no . .
C93 H85A 2.5850 no . .
C93 H85B 2.5605 no . .
C94 H10B 2.7472 no . .
C94 H11B 2.6918 no . .
C94 H96 2.7504 no . .
C94 H97 3.3546 no . .
C94 H98 2.6144 no . .
C94 H111 2.5148 no . .
C94 H112 3.5612 no . .
C95 H10A 2.6923 no . .
C95 H10B 2.5186 no . .
C95 H10C 3.2149 no . .
C95 H10E 3.0884 no . .
C95 H11G 3.5713 no . .
C95 H97 2.7978 no . .
C95 H98 3.2619 no . .
C95 H111 3.4139 no . .
C96 H10D 3.2230 no . .
C96 H10E 2.5889 no . .
C96 H10F 2.6278 no . .
C96 H11G 3.3163 no . .
C96 H80 3.4848 no . .
C96 H94 3.3517 no . .
C96 H98 2.8262 no . .
C97 H80 2.4398 no . .
C97 H95 2.7179 no . .
C97 H99A 3.3713 no . .
C97 H99B 2.8208 no . .
C98 H11B 3.5458 no . .
C98 H80 3.5700 no . .
C98 H84 3.5412 no . .
C98 H94 3.2431 no . .
C98 H95 3.1632 no . .
C98 H96 2.8598 no . .
C99 H10G 2.4829 no . .
C99 H10H 2.5831 no . .
C99 H10I 3.1738 no . .
C99 H84 3.3389 no . .
C99 H85A 3.3986 no . .
C99 H97 2.6422 no . .
C103 H10E 3.5892 no . .
C103 H94 2.8159 no . .
C103 H95 2.4818 no . .
C103 H111 3.3631 no . .
C105 H11G 3.4158 no . .
C105 H89B 3.0453 no . .
C105 H89C 3.2468 no . .
C105 H96 2.4088 no . .
C107 H85A 3.4547 no . .
C107 H99A 2.6049 no . .
C107 H99B 2.4691 no . .
C108 H11D 2.7350 no . .
C108 H12E 3.1285 no . .
C108 H110 2.8068 no . .
C108 H111 3.2981 no . .
C108 H112 2.5602 no . .
C108 H125 2.4218 no . .
C109 H11C 2.6607 no . .
C109 H11D 2.5132 no . .
C109 H11E 3.1995 no . .
C109 H11F 3.4348 no . .
C109 H111 2.7750 no . .
C109 H112 3.1520 no . .
C110 H11F 2.3687 no . .
C110 H11G 2.8980 no . .
C110 H11H 3.0844 no . .
C110 H108 3.3789 no . .
C110 H112 2.7077 no . .
C111 H11A 3.4048 no . .
C111 H11B 2.8115 no . .
C111 H11F 3.4941 no . .
C111 H11G 3.5332 no . .
C111 H94 2.4278 no . .
C111 H109 2.7272 no . .
C112 H12E 2.8662 no . .
C112 H94 3.1018 no . .
C112 H108 3.2224 no . .
C112 H109 3.2043 no . .
C112 H110 2.7641 no . .
C113 H12A 2.5915 no . .
C113 H12B 2.5352 no . .
C113 H12C 3.1973 no . .
C113 H12E 3.1224 no . .
C113 H94 2.7985 no . .
C113 H111 2.7381 no . .
C117 H13B 3.3848 no . .
C117 H13C 3.1357 no . .
C117 H108 2.8419 no . .
C117 H109 2.4412 no . .
C119 H96 3.3048 no . .
C119 H110 2.3804 no . .
C121 H11A 2.5881 no . .
C121 H11B 2.5534 no . .
C121 H94 3.2028 no . .
C122 H14A 3.0686 no . .
C122 H124 2.7708 no . .
C122 H125 3.2792 no . .
C122 H126 2.6354 no . .
C122 H140 2.4006 no . .
C123 H13A 3.0769 no . .
C123 H125 2.7301 no . .
C123 H126 3.2304 no . .
C124 H13A 2.5602 no . .
C124 H13B 2.6138 no . .
C124 H13C 3.2035 no . .
C124 H108 3.4627 no . .
C124 H122 3.3582 no . .
C124 H126 2.7514 no . .
C125 H12D 3.3794 no . .
C125 H12E 2.7943 no . .
C125 H13B 3.5974 no . .
C125 H108 2.4221 no . .
C125 H112 3.5909 no . .
C125 H123 2.6769 no . .
C126 H13E 2.9710 no . .
C126 H14A 2.7348 no . .
C126 H108 3.5717 no . .
C126 H122 3.2397 no . .
C126 H123 3.1885 no . .
C126 H124 2.7789 no . .
C127 H11A 3.4296 no . .
C127 H13D 2.6324 no . .
C127 H13E 2.3902 no . .
C127 H13F 3.1242 no . .
C127 H14A 3.1728 no . .
C127 H15B 3.4294 no . .
C127 H112 3.4018 no . .
C127 H125 2.6968 no . .
C131 H13A 2.9617 no . .
C131 H14G 2.9089 no . .
C131 H14H 3.3969 no . .
C131 H122 3.4321 no . .
C131 H123 2.4530 no . .
C132 H14G 2.9751 no . .
C132 H14H 3.1993 no . .
C132 H122 2.9289 no . .
C132 H123 2.2439 no . .
C134 H11D 3.5412 no . .
C134 H11E 2.9242 no . .
C134 H124 2.3860 no . .
C136 H12D 2.3147 no . .
C136 H12E 3.0350 no . .
C136 H125 3.5524 no . .
C137 H14C 3.2186 no . .
C137 H14D 2.8692 no . .
C137 H55 2.5458 no . .
C137 H56 3.5797 no . .
C137 H57B 2.8554 no . .
C137 H139 2.7337 no . .
C137 H140 3.3386 no . .
C137 H141 2.5898 no . .
C138 H14C 2.4822 no . .
C138 H14D 2.7230 no . .
C138 H14E 3.1953 no . .
C138 H14F 3.0537 no . .
C138 H63B 3.5295 no . .
C138 H140 2.8085 no . .
C138 H141 3.2491 no . .
C139 H14F 2.5319 no . .
C139 H14G 2.6573 no . .
C139 H14H 3.2100 no . .
C139 H63B 3.3685 no . .
C139 H122 3.2283 no . .
C139 H137 3.3582 no . .
C139 H141 2.8026 no . .
C140 H14A 2.5722 no . .
C140 H14B 2.8957 no . .
C140 H122 2.4468 no . .
C140 H126 3.5788 no . .
C140 H138 2.7160 no . .
C141 H57B 3.0735 no . .
C141 H126 3.5994 no . .
C141 H137 3.2331 no . .
C141 H138 3.1646 no . .
C141 H139 2.8230 no . .
C142 H12D 3.5621 no . .
C142 H15A 2.5597 no . .
C142 H15B 2.5694 no . .
C142 H15C 3.1860 no . .
C142 H57B 3.4047 no . .
C142 H126 3.0985 no . .
C142 H140 2.6476 no . .
C146 H137 2.7559 no . .
C146 H138 2.4892 no . .
C148 H139 2.3635 no . .
C150 H14A 2.5621 no . .
C150 H14B 2.5677 no . .
C151 H16A 3.5187 no . .
C151 H16B 2.7753 no . .
C151 H17A 2.9298 no . .
C151 H153 2.7978 no . .
C151 H154 3.3392 no . .
C151 H155 2.6316 no . .
C151 H168 2.4241 no . .
C152 H16A 2.5776 no . .
C152 H16B 2.5472 no . .
C152 H16C 3.1956 no . .
C152 H16D 3.1116 no . .
C152 H154 2.7754 no . .
C152 H155 3.2389 no . .
C153 H16D 2.6214 no . .
C153 H16E 2.5453 no . .
C153 H16F 3.2093 no . .
C153 H151 3.3785 no . .
C153 H155 2.7851 no . .
C153 H236 3.4554 no . .
C154 H15D 3.3787 no . .
C154 H15E 2.8012 no . .
C154 H16E 3.5579 no . .
C154 H152 2.7017 no . .
C154 H236 2.4331 no . .
C155 H16G 3.5216 no . .
C155 H16H 3.1332 no . .
C155 H17A 2.8205 no . .
C155 H151 3.2487 no . .
C155 H152 3.1642 no . .
C155 H153 2.8247 no . .
C155 H236 3.5795 no . .
C156 H16G 2.4955 no . .
C156 H16H 2.7302 no . .
C156 H16I 3.1970 no . .
C156 H17A 3.2459 no . .
C156 H24A 3.3940 no . .
C156 H154 2.6633 no . .
C156 H240 3.4133 no . .
C160 H16D 3.5815 no . .
C160 H17G 2.8804 no . .
C160 H17H 3.1808 no . .
C160 H151 2.8348 no . .
C160 H152 2.4073 no . .
C162 H24C 3.0706 no . .
C162 H153 2.3896 no . .
C164 H15D 2.4240 no . .
C164 H15E 3.1516 no . .
C164 H154 3.4619 no . .
C165 H17C 3.1794 no . .
C165 H17D 2.8578 no . .
C165 H18B 2.7602 no . .
C165 H167 2.7196 no . .
C165 H168 3.3844 no . .
C165 H169 2.6663 no . .
C165 H182 2.5119 no . .
C165 H183 3.5994 no . .
C166 H17C 2.4862 no . .
C166 H17D 2.7337 no . .
C166 H17E 3.2004 no . .
C166 H17F 3.0359 no . .
C166 H168 2.8178 no . .
C166 H169 3.3382 no . .
C166 H182 3.4382 no . .
C167 H17F 2.5198 no . .
C167 H17G 2.6516 no . .
C167 H17H 3.2051 no . .
C167 H19B 3.4136 no . .
C167 H151 3.3052 no . .
C167 H165 3.3616 no . .
C167 H169 2.8777 no . .
C168 H17A 2.4622 no . .
C168 H17B 2.9436 no . .
C168 H151 2.4783 no . .
C168 H155 3.4881 no . .
C168 H166 2.7139 no . .
C169 H17I 2.7844 no . .
C169 H17J 3.2747 no . .
C169 H18B 3.5587 no . .
C169 H155 3.3963 no . .
C169 H165 3.2459 no . .
C169 H166 3.1444 no . .
C169 H167 2.8515 no . .
C170 H15D 3.4649 no . .
C170 H17I 2.6065 no . .
C170 H17J 2.4667 no . .
C170 H17K 3.1681 no . .
C170 H155 3.0324 no . .
C170 H168 2.5694 no . .
C174 H165 2.7384 no . .
C174 H166 2.5497 no . .
C174 H182 3.2264 no . .
C176 H16B 3.0808 no . .
C176 H16C 2.9552 no . .
C176 H19B 3.4757 no . .
C176 H167 2.3764 no . .
C178 H17A 3.1580 no . .
C178 H17B 2.4577 no . .
C178 H18B 3.1620 no . .
C178 H169 3.0444 no . .
C179 H18C 3.2026 no . .
C179 H18D 2.7563 no . .
C179 H19G 2.6173 no . .
C179 H19H 3.5957 no . .
C179 H181 2.8387 no . .
C179 H182 3.2769 no . .
C179 H183 2.5590 no . .
C179 H196 2.4831 no . .
C180 H18C 2.4994 no . .
C180 H18D 2.6662 no . .
C180 H18E 3.1955 no . .
C180 H19A 3.2564 no . .
C180 H182 2.7878 no . .
C180 H183 3.1467 no . .
C180 H196 3.5689 no . .
C181 H19A 2.5035 no . .
C181 H19B 2.7121 no . .
C181 H19C 3.2016 no . .
C181 H179 3.3695 no . .
C181 H183 2.6922 no . .
C182 H17D 3.2166 no . .
C182 H18A 3.3663 no . .
C182 H18B 2.7839 no . .
C182 H19B 3.4968 no . .
C182 H165 2.4191 no . .
C182 H180 2.7607 no . .
C183 H19G 3.2530 no . .
C183 H165 3.1315 no . .
C183 H179 3.2269 no . .
C183 H180 3.2564 no . .
C183 H181 2.7820 no . .
C184 H17I 3.1812 no . .
C184 H19D 2.5113 no . .
C184 H19E 2.5543 no . .
C184 H19F 3.1634 no . .
C184 H19G 3.5930 no . .
C184 H165 2.8965 no . .
C184 H182 2.7152 no . .
C188 H179 2.7658 no . .
C188 H180 2.5190 no . .
C188 H196 3.3545 no . .
C190 H17F 3.5625 no . .
C190 H167 3.4408 no . .
C190 H181 2.3854 no . .
C192 H18A 2.4759 no . .
C192 H18B 2.6270 no . .
C192 H165 3.5076 no . .
C193 H20B 2.9899 no . .
C193 H21B 3.2369 no . .
C193 H195 2.6620 no . .
C193 H196 3.2716 no . .
C193 H197 2.6508 no . .
C193 H211 2.4351 no . .
C194 H20A 2.5529 no . .
C194 H20B 2.5385 no . .
C194 H20C 3.1695 no . .
C194 H196 2.6607 no . .
C194 H197 3.2852 no . .
C195 H18D 3.5240 no . .
C195 H193 3.3589 no . .
C195 H197 2.7964 no . .
C196 H18D 3.0811 no . .
C196 H19G 2.6822 no . .
C196 H19H 2.8381 no . .
C196 H179 2.4226 no . .
C196 H194 2.5990 no . .
C197 H21B 2.8394 no . .
C197 H179 3.2748 no . .
C197 H193 3.2523 no . .
C197 H194 3.1190 no . .
C197 H195 2.7552 no . .
C198 H20D 2.4902 no . .
C198 H20E 2.5515 no . .
C198 H20F 3.1542 no . .
C198 H21B 3.3240 no . .
C198 H179 3.0847 no . .
C198 H196 2.6927 no . .
C202 H21G 3.1853 no . .
C202 H21H 3.1115 no . .
C202 H193 3.0323 no . .
C202 H194 2.3587 no . .
C204 H18D 3.5465 no . .
C204 H181 3.5192 no . .
C204 H195 2.4267 no . .
C205 H195 2.3620 no . .
C207 H19G 2.5253 no . .
C207 H19H 2.5209 no . .
C207 H22A 3.2298 no . .
C208 H21C 3.1928 no . .
C208 H21D 2.8708 no . .
C208 H22D 3.1249 no . .
C208 H22E 3.5686 no . .
C208 H210 2.7098 no . .
C208 H211 3.3402 no . .
C208 H212 2.6732 no . .
C208 H225 2.4321 no . .
C209 H21C 2.4437 no . .
C209 H21D 2.7166 no . .
C209 H21E 3.1790 no . .
C209 H21F 3.0895 no . .
C209 H211 2.7450 no . .
C209 H212 3.3008 no . .
C210 H21F 2.5771 no . .
C210 H21G 2.5861 no . .
C210 H21H 3.2071 no . .
C210 H193 3.2843 no . .
C210 H208 3.3476 no . .
C210 H212 2.8243 no . .
C211 H21A 3.3924 no . .
C211 H21B 2.7228 no . .
C211 H193 2.4638 no . .
C211 H197 3.5379 no . .
C211 H209 2.6396 no . .
C212 H22D 2.9626 no . .
C212 H197 3.5025 no . .
C212 H208 3.2444 no . .
C212 H209 3.0948 no . .
C212 H210 2.8220 no . .
C213 H22A 2.5691 no . .
C213 H22B 2.4965 no . .
C213 H22C 3.1568 no . .
C213 H22D 3.4026 no . .
C213 H197 3.1548 no . .
C213 H211 2.6559 no . .
C217 H23E 3.4626 no . .
C217 H23F 3.3538 no . .
C217 H208 2.7202 no . .
C217 H209 2.4581 no . .
C219 H20B 3.4463 no . .
C219 H20C 3.0928 no . .
C219 H210 2.3858 no . .
C221 H21A 2.5236 no . .
C221 H21B 2.5487 no . .
C222 H23A 3.3154 no . .
C222 H23B 2.6808 no . .
C222 H24B 2.6881 no . .
C222 H24F 3.5663 no . .
C222 H24I 3.3824 no . .
C222 H224 2.7483 no . .
C222 H225 3.2730 no . .
C222 H226 2.5914 no . .
C222 H239 2.5492 no . .
C222 H240 3.5393 no . .
C223 H23A 2.5441 no . .
C223 H23B 2.5922 no . .
C223 H23C 3.1906 no . .
C223 H23D 3.0753 no . .
C223 H24F 3.3545 no . .
C223 H225 2.7639 no . .
C223 H226 3.2402 no . .
C223 H239 3.4682 no . .
C224 H23D 2.5107 no . .
C224 H23E 2.6858 no . .
C224 H23F 3.1968 no . .
C224 H24F 3.1126 no . .
C224 H208 3.4588 no . .
C224 H222 3.3518 no . .
C224 H226 2.7923 no . .
C225 H22D 2.7851 no . .
C225 H22E 2.6976 no . .
C225 H208 2.4356 no . .
C225 H223 2.7016 no . .
C226 H24B 3.4189 no . .
C226 H208 3.5939 no . .
C226 H222 3.2326 no . .
C226 H223 3.1963 no . .
C226 H224 2.8134 no . .
C227 H23G 2.5037 no . .
C227 H23H 2.6067 no . .
C227 H23I 3.1841 no . .
C227 H212 3.4272 no . .
C227 H225 2.6639 no . .
C231 H222 2.6925 no . .
C231 H223 2.4875 no . .
C231 H239 3.2598 no . .
C233 H21D 3.3062 no . .
C233 H21E 3.5010 no . .
C233 H24F 3.5719 no . .
C233 H224 2.3803 no . .
C235 H17K 3.4745 no . .
C235 H22D 2.4666 no . .
C235 H22E 2.6694 no . .
C236 H15E 3.1117 no . .
C236 H24E 3.1228 no . .
C236 H154 2.4283 no . .
C236 H238 2.8065 no . .
C236 H239 3.2687 no . .
C236 H240 2.5757 no . .
C237 H24C 3.1516 no . .
C237 H24D 2.6725 no . .
C237 H24E 2.4521 no . .
C237 H24H 3.5391 no . .
C237 H239 2.7645 no . .
C237 H240 3.1536 no . .
C238 H24D 3.5078 no . .
C238 H24F 2.7158 no . .
C238 H24G 3.2245 no . .
C238 H24H 2.5172 no . .
C238 H236 3.3642 no . .
C238 H240 2.6774 no . .
C239 H23B 3.2688 no . .
C239 H24A 3.3951 no . .
C239 H24B 2.8466 no . .
C239 H24F 3.2125 no . .
C239 H222 2.4266 no . .
C239 H237 2.7442 no . .
C240 H15E 2.8422 no . .
C240 H222 3.0620 no . .
C240 H236 3.2405 no . .
C240 H237 3.2470 no . .
C240 H238 2.7498 no . .
C241 H15E 3.0805 no . .
C241 H24I 2.5556 no . .
C241 H24J 2.6323 no . .
C241 H24K 3.2157 no . .
C241 H222 2.7369 no . .
C241 H239 2.7513 no . .
C245 H16E 3.4853 no . .
C245 H16F 3.2312 no . .
C245 H236 3.2027 no . .
C245 H237 2.3317 no . .
C247 H224 3.2280 no . .
C247 H238 2.4066 no . .
C249 H24A 2.6554 no . .
C249 H24B 2.5518 no . .
C249 H222 2.9364 no . .
H10A H94 3.3933 no . .
H10A H95 2.4389 no . .
H10B H94 2.1860 no . .
H10B H95 2.5582 no . .
H10B H111 2.8774 no . .
H10C H94 3.5266 no . .
H10C H95 3.4286 no . .
H10C H111 3.5154 no . .
H10D H89B 2.8083 no . .
H10D H89C 2.7667 no . .
H10D H96 3.3621 no . .
H10E H11G 2.8611 no . .
H10E H95 3.5341 no . .
H10E H96 2.4903 no . .
H10F H11G 3.1978 no . .
H10F H89B 3.1251 no . .
H10F H89C 3.0774 no . .
H10F H96 2.3307 no . .
H10G H85A 2.5655 no . .
H10G H99A 2.8635 no . .
H10G H99B 2.2158 no . .
H10H H99A 2.4723 no . .
H10H H99B 2.8082 no . .
H10I H99A 3.5049 no . .
H10I H99B 3.3548 no . .
H11A H12A 2.9420 no . .
H11A H12B 2.3746 no . .
H11A H12C 3.4582 no . .
H11A H12E 2.5133 no . .
H11A H112 2.3949 no . .
H11B H12A 2.3987 no . .
H11B H12B 2.8021 no . .
H11B H12C 3.4625 no . .
H11B H94 2.4653 no . .
H11B H98 3.4972 no . .
H11B H99A 3.5274 no . .
H11B H111 3.0808 no . .
H11B H112 2.3470 no . .
H11C H108 3.3590 no . .
H11C H109 2.3748 no . .
H11D H13C 3.3423 no . .
H11D H108 2.2072 no . .
H11D H109 2.5447 no . .
H11D H125 3.3230 no . .
H11E H13B 2.9922 no . .
H11E H13C 2.3994 no . .
H11E H108 3.5949 no . .
H11E H109 3.3868 no . .
H11F H96 3.4301 no . .
H11F H110 1.9793 no . .
H11G H96 2.4867 no . .
H11G H110 2.9250 no . .
H11H H110 3.1604 no . .
H12A H94 2.8661 no . .
H12D H13D 2.3909 no . .
H12D H13E 2.2142 no . .
H12D H13F 3.2744 no . .
H12D H14A 2.6746 no . .
H12D H15B 2.7999 no . .
H12D H125 3.5878 no . .
H12D H126 2.3576 no . .
H12E H13D 3.1995 no . .
H12E H13E 3.3037 no . .
H12E H15B 3.3233 no . .
H12E H108 3.4724 no . .
H12E H112 2.5196 no . .
H12E H125 3.0393 no . .
H12E H126 2.3046 no . .
H13 H14 2.4631 no . .
H13 H48 3.1150 no . .
H13A H123 3.5503 no . .
H13A H124 2.4340 no . .
H13B H124 2.3307 no . .
H13C H124 3.3439 no . .
H14 H33 2.9494 no . .
H14A H15A 2.8622 no . .
H14A H15B 2.3884 no . .
H14A H15C 3.4529 no . .
H14A H122 3.5291 no . .
H14A H126 2.2281 no . .
H14A H140 2.6322 no . .
H14A H141 2.4895 no . .
H14B H15A 2.3838 no . .
H14B H15B 2.8858 no . .
H14B H15C 3.4517 no . .
H14B H140 2.7042 no . .
H14B H141 2.8283 no . .
H14C H137 2.8785 no . .
H14C H138 2.1859 no . .
H14D H55 2.9516 no . .
H14D H137 2.3321 no . .
H14D H138 2.9468 no . .
H14E H138 3.3169 no . .
H14F H63B 2.9691 no . .
H14F H138 3.5667 no . .
H14F H139 2.3658 no . .
H14G H63B 3.5061 no . .
H14G H139 2.3546 no . .
H14H H139 3.3232 no . .
H15B H126 3.2570 no . .
H15D H16G 2.1421 no . .
H15D H16H 2.7861 no . .
H15D H16I 3.3030 no . .
H15D H17A 2.7071 no . .
H15D H154 3.5557 no . .
H15D H155 2.3938 no . .
H15E H16G 3.2244 no . .
H15E H24A 2.4747 no . .
H15E H154 3.0097 no . .
H15E H155 2.3183 no . .
H15E H236 3.4535 no . .
H15E H240 2.5367 no . .
H16A H151 3.2812 no . .
H16A H152 2.2508 no . .
H16B H17G 2.9229 no . .
H16B H17H 2.9239 no . .
H16B H151 2.2346 no . .
H16B H152 2.5932 no . .
H16C H17G 2.5112 no . .
H16C H17H 2.6685 no . .
H16C H152 3.3431 no . .
H16D H152 3.5287 no . .
H16D H153 2.5438 no . .
H16E H24C 3.0372 no . .
H16E H153 2.2266 no . .
H16F H24C 2.4776 no . .
H16F H24E 3.5827 no . .
H16F H153 3.3350 no . .
H16H H154 3.3078 no . .
H17A H17I 3.5202 no . .
H17A H17J 3.3175 no . .
H17A H151 3.2410 no . .
H17A H155 2.4664 no . .
H17A H168 2.3553 no . .
H17A H169 2.5818 no . .
H17B H17I 2.8362 no . .
H17B H17J 2.1867 no . .
H17B H17K 3.3271 no . .
H17B H168 2.7448 no . .
H17B H169 2.8187 no . .
H17C H165 2.8031 no . .
H17C H166 2.2523 no . .
H17D H165 2.3410 no . .
H17D H166 3.0297 no . .
H17D H182 2.4271 no . .
H17E H166 3.3602 no . .
H17F H19B 2.8945 no . .
H17F H19C 3.4219 no . .
H17F H166 3.5545 no . .
H17F H167 2.3808 no . .
H17G H19B 3.2582 no . .
H17G H167 2.3612 no . .
H17H H167 3.3365 no . .
H17I H18A 3.3218 no . .
H17I H18B 2.3119 no . .
H17I H169 2.6133 no . .
H17I H183 3.4913 no . .
H17J H18B 3.2211 no . .
H17J H169 3.5432 no . .
H17K H23H 3.0901 no . .
H17K H23I 2.9818 no . .
H18 H19 2.4728 no . .
H18 H36 2.9507 no . .
H18A H19D 2.6984 no . .
H18A H19E 2.3165 no . .
H18A H19F 3.3981 no . .
H18A H19G 3.0450 no . .
H18A H20E 3.1681 no . .
H18A H183 2.3569 no . .
H18B H19D 2.4330 no . .
H18B H19E 3.0027 no . .
H18B H19F 3.4820 no . .
H18B H165 2.5777 no . .
H18B H169 3.4493 no . .
H18B H182 3.0610 no . .
H18B H183 2.3295 no . .
H18C H179 2.8428 no . .
H18C H180 2.2475 no . .
H18D H179 2.3310 no . .
H18D H180 2.9379 no . .
H18D H196 2.4804 no . .
H18E H180 3.3651 no . .
H19 H41 2.8900 no . .
H19A H181 2.2290 no . .
H19B H167 2.5312 no . .
H19B H181 2.5400 no . .
H19C H181 3.3306 no . .
H19D H165 3.3793 no . .
H19E H20E 3.4488 no . .
H19G H20D 2.7849 no . .
H19G H20E 2.3686 no . .
H19G H20F 3.4317 no . .
H19G H179 2.5257 no . .
H19G H183 3.2937 no . .
H19G H196 2.8233 no . .
H19G H197 2.4408 no . .
H19H H20D 2.2965 no . .
H19H H20E 2.8728 no . .
H19H H20F 3.3963 no . .
H19H H179 3.1067 no . .
H19H H196 2.6212 no . .
H19H H197 2.8637 no . .
H20A H193 3.5775 no . .
H20A H194 2.2338 no . .
H20B H21G 3.4328 no . .
H20B H21H 3.0691 no . .
H20B H193 2.5109 no . .
H20B H194 2.4841 no . .
H20C H21G 2.8592 no . .
H20C H21H 2.5819 no . .
H20C H194 3.3089 no . .
H20F H22A 2.8160 no . .
H20F H22B 3.5738 no . .
H21A H22A 2.8819 no . .
H21A H22B 2.2988 no . .
H21A H22C 3.3957 no . .
H21A H22D 2.8607 no . .
H21A H23H 3.2223 no . .
H21A H211 3.5960 no . .
H21A H212 2.3250 no . .
H21B H22A 2.4059 no . .
H21B H22B 2.8084 no . .
H21B H22C 3.4524 no . .
H21B H197 2.2601 no . .
H21B H211 2.8375 no . .
H21B H212 2.3888 no . .
H21C H208 2.8399 no . .
H21C H209 2.1301 no . .
H21D H23E 3.4281 no . .
H21D H23F 3.1492 no . .
H21D H208 2.3074 no . .
H21D H209 2.9250 no . .
H21D H225 3.2674 no . .
H21E H23E 3.4402 no . .
H21E H23F 3.0398 no . .
H21E H209 3.2831 no . .
H21F H23E 3.3648 no . .
H21F H210 2.4863 no . .
H21G H210 2.2772 no . .
H21H H210 3.3391 no . .
H22D H23G 2.6251 no . .
H22D H23H 2.3523 no . .
H22D H23I 3.4033 no . .
H22D H208 3.4449 no . .
H22D H212 2.5266 no . .
H22D H225 2.9930 no . .
H22D H226 2.3749 no . .
H22E H23G 2.4583 no . .
H22E H23H 3.0937 no . .
H22E H23I 3.4979 no . .
H22E H208 3.4261 no . .
H22E H225 2.4462 no . .
H22E H226 2.8897 no . .
H23 H24 2.4458 no . .
H23 H38 2.9632 no . .
H23A H222 2.9787 no . .
H23A H223 2.2739 no . .
H23B H222 2.1247 no . .
H23B H223 2.7991 no . .
H23B H239 2.5067 no . .
H23C H222 3.5725 no . .
H23C H223 3.3813 no . .
H23D H24F 2.9519 no . .
H23D H24G 3.5379 no . .
H23D H223 3.5775 no . .
H23D H224 2.3409 no . .
H23E H24F 3.5133 no . .
H23E H224 2.4223 no . .
H23F H224 3.3372 no . .
H24 H43 2.7416 no . .
H24A H24I 2.9294 no . .
H24A H24J 2.5275 no . .
H24A H24K 3.5462 no . .
H24A H240 2.4170 no . .
H24B H24I 2.3310 no . .
H24B H24J 2.8875 no . .
H24B H24K 3.4328 no . .
H24B H222 2.4915 no . .
H24B H226 3.4287 no . .
H24B H239 3.1599 no . .
H24B H240 2.3157 no . .
H24C H237 3.2834 no . .
H24D H237 2.4537 no . .
H24E H236 2.7556 no . .
H24E H237 2.2068 no . .
H24F H224 2.2492 no . .
H24F H238 2.6650 no . .
H24F H239 3.5729 no . .
H24G H238 3.3256 no . .
H24H H238 2.1640 no . .
H24I H222 2.6767 no . .
H24K H222 3.2008 no . .
H28 H29 2.4622 no . .
H28 H46 2.6345 no . .
H29 H51 3.1079 no . .
H33 H34 2.3398 no . .
H35 H36 2.3202 no . .
H38 H39 2.3121 no . .
H40 H41 2.3127 no . .
H43 H44 2.3111 no . .
H45 H46 2.2966 no . .
H48 H49 2.2976 no . .
H50 H51 2.3056 no . .
H52 H53 2.3225 no . .
H52 H56 3.4579 no . .
H52 H61B 3.5195 no . .
H52 H69 2.0339 no . .
H52 H71B 3.0662 no . .
H52 H79A 3.4199 no . .
H53 H54 2.8835 no . .
H53 H55 2.5611 no . .
H53 H61A 2.7235 no . .
H53 H61B 2.2420 no . .
H53 H61C 3.3599 no . .
H54 H55 2.8719 no . .
H54 H56 2.5424 no . .
H54 H61A 3.4737 no . .
H54 H63A 2.1764 no . .
H54 H63B 2.5787 no . .
H54 H63C 3.3122 no . .
H54 H77B 2.5389 no . .
H55 H56 2.8753 no . .
H55 H57A 3.5767 no . .
H55 H57B 3.2006 no . .
H55 H65B 3.1766 no . .
H55 H137 2.1927 no . .
H56 H57A 2.4112 no . .
H56 H57B 2.2622 no . .
H56 H71B 2.8863 no . .
H56 H141 3.1923 no . .
H57A H65A 2.2501 no . .
H57A H65B 2.5829 no . .
H57A H65C 3.3413 no . .
H57A H71B 2.7277 no . .
H57A H79A 3.2844 no . .
H57B H65A 3.2707 no . .
H57B H65B 3.5269 no . .
H57B H137 2.9019 no . .
H57B H141 2.9477 no . .
H61A H63A 2.9749 no . .
H61A H63C 3.0788 no . .
H61C H77C 3.4928 no . .
H63A H77B 3.0907 no . .
H63A H77C 3.5586 no . .
H63B H139 2.5313 no . .
H65A H79A 3.1715 no . .
H65B H79A 2.9131 no . .
H66 H67 2.3375 no . .
H66 H70 3.4639 no . .
H66 H75B 2.6987 no . .
H66 H83 2.1297 no . .
H67 H68 2.8818 no . .
H67 H69 2.4250 no . .
H67 H75A 2.3812 no . .
H67 H75B 2.2476 no . .
H67 H75C 3.2853 no . .
H68 H69 2.8821 no . .
H68 H70 2.4644 no . .
H68 H77A 2.2910 no . .
H68 H77B 2.4646 no . .
H68 H77C 3.3320 no . .
H69 H70 2.8721 no . .
H69 H71B 3.1983 no . .
H70 H71A 2.3553 no . .
H70 H71B 2.3036 no . .
H70 H84 3.3864 no . .
H70 H85B 2.2965 no . .
H71A H79A 2.9177 no . .
H71A H79B 2.2641 no . .
H71A H79C 3.3758 no . .
H71A H85B 2.4716 no . .
H71A H93A 2.4674 no . .
H71A H93B 3.3666 no . .
H71B H79A 2.4366 no . .
H71B H79B 2.7611 no . .
H71B H79C 3.4644 no . .
H71B H85B 3.4513 no . .
H75B H91C 3.2051 no . .
H75C H91B 2.8238 no . .
H75C H91C 2.4454 no . .
H79B H93A 3.4439 no . .
H80 H81 2.3195 no . .
H80 H84 3.5233 no . .
H80 H89A 3.0826 no . .
H80 H89B 2.4613 no . .
H80 H97 2.0484 no . .
H80 H99B 3.4554 no . .
H81 H82 2.8634 no . .
H81 H83 2.7634 no . .
H81 H89A 2.1453 no . .
H81 H89B 2.8237 no . .
H81 H89C 3.2951 no . .
H81 H91A 3.3505 no . .
H82 H83 2.8673 no . .
H82 H84 2.7561 no . .
H82 H91A 2.6437 no . .
H82 H91B 2.2190 no . .
H82 H91C 3.3422 no . .
H83 H84 2.8800 no . .
H83 H85A 3.5661 no . .
H83 H85B 2.9456 no . .
H84 H85A 2.3735 no . .
H84 H85B 2.3598 no . .
H84 H98 3.2289 no . .
H84 H99B 2.4751 no . .
H85A H93A 3.0766 no . .
H85A H93B 2.3087 no . .
H85A H93C 3.3843 no . .
H85A H99B 2.4667 no . .
H85B H93A 2.5336 no . .
H85B H93B 2.6793 no . .
H85B H93C 3.4908 no . .
H89A H91A 3.5807 no . .
H89B H97 3.4006 no . .
H89C H91A 3.3818 no . .
H94 H95 2.3706 no . .
H94 H98 3.5035 no . .
H94 H111 2.1678 no . .
H95 H96 2.8796 no . .
H95 H97 2.6550 no . .
H96 H97 2.8883 no . .
H96 H98 2.7845 no . .
H97 H98 2.8774 no . .
H97 H99A 3.5257 no . .
H97 H99B 3.0150 no . .
H98 H99A 2.4102 no . .
H98 H99B 2.2962 no . .
H108 H109 2.3152 no . .
H108 H112 3.4714 no . .
H108 H125 2.0223 no . .
H109 H110 2.8682 no . .
H109 H111 2.6363 no . .
H110 H111 2.8743 no . .
H110 H112 2.6000 no . .
H111 H112 2.8894 no . .
H112 H126 3.4103 no . .
H122 H123 2.3295 no . .
H122 H126 3.5402 no . .
H122 H140 2.1210 no . .
H123 H124 2.8706 no . .
H123 H125 2.5553 no . .
H124 H125 2.8846 no . .
H124 H126 2.6462 no . .
H125 H126 2.8909 no . .
H126 H141 3.5443 no . .
H137 H138 2.3884 no . .
H137 H141 3.4775 no . .
H138 H139 2.8604 no . .
H138 H140 2.6473 no . .
H139 H140 2.8858 no . .
H139 H141 2.7255 no . .
H140 H141 2.8778 no . .
H151 H152 2.3489 no . .
H151 H155 3.5291 no . .
H151 H168 2.1469 no . .
H152 H153 2.8806 no . .
H152 H154 2.6177 no . .
H153 H154 2.8774 no . .
H153 H155 2.7290 no . .
H154 H155 2.8829 no . .
H154 H236 2.0382 no . .
H155 H169 3.1725 no . .
H155 H240 3.3683 no . .
H165 H166 2.4009 no . .
H165 H169 3.5450 no . .
H165 H182 2.1365 no . .
H166 H167 2.8822 no . .
H166 H168 2.6634 no . .
H167 H168 2.8767 no . .
H167 H169 2.8290 no . .
H168 H169 2.8702 no . .
H179 H180 2.3044 no . .
H179 H183 3.4745 no . .
H179 H196 2.0729 no . .
H180 H181 2.8701 no . .
H180 H182 2.6778 no . .
H181 H182 2.8960 no . .
H181 H183 2.6068 no . .
H182 H183 2.8749 no . .
H183 H197 3.5287 no . .
H193 H194 2.4165 no . .
H193 H195 3.5697 no . .
H193 H197 3.5405 no . .
H193 H211 2.1328 no . .
H194 H195 2.8794 no . .
H194 H196 2.4286 no . .
H195 H196 2.8731 no . .
H195 H197 2.6453 no . .
H196 H197 2.9060 no . .
H197 H212 3.3144 no . .
H208 H209 2.3669 no . .
H208 H212 3.5617 no . .
H208 H225 2.0365 no . .
H209 H210 2.8933 no . .
H209 H211 2.5373 no . .
H210 H211 2.8878 no . .
H210 H212 2.7531 no . .
H211 H212 2.8788 no . .
H212 H226 3.5372 no . .
H222 H223 2.3556 no . .
H222 H226 3.4855 no . .
H222 H239 2.2005 no . .
H223 H224 2.8687 no . .
H223 H225 2.5991 no . .
H224 H225 2.8948 no . .
H224 H226 2.6996 no . .
H225 H226 2.8896 no . .
H226 H240 3.5735 no . .
H236 H237 2.2992 no . .
H236 H240 3.4883 no . .
H237 H238 2.8723 no . .
H237 H239 2.6329 no . .
H238 H239 2.8756 no . .
H238 H240 2.5647 no . .
H239 H240 2.8869 no . .
O10 H16E 3.0737 no . .
O10 H24C 3.5142 no . .
O10 H24H 2.9499 no . .
O10 H77A 2.9537 no . .
O11 H11F 3.1106 no . .
O11 H11H 3.5603 no . .
O11 H13B 2.5776 no . .
O11 H13C 3.4325 no . .
O58 H18C 3.2044 no . 1_656
O58 H18D 3.2344 no . 1_656
O59 H40 3.5810 no . .
O59 H41 2.8896 no . .
O60 H19H 3.3799 no . 1_656
O60 H179 3.0015 no . 1_656
O62 H21F 3.3450 no . 1_556
O62 H21H 3.5450 no . 1_556
O62 H45 2.4623 no . 1_556
O64 H10A 3.4561 no . 1_556
O64 H10D 3.3120 no . 1_556
O64 H17B 2.9898 no . 1_666
O64 H17J 3.0040 no . 1_666
O72 H20A 3.5895 no . 1_656
O72 H194 2.9914 no . 1_656
O76 H19H 2.6678 no . 1_656
O76 H20D 2.9228 no . 1_656
O78 H18D 3.0235 no . 1_656
O78 H20A 3.1273 no . 1_656
O78 H194 2.6164 no . 1_656
O78 H196 3.0793 no . 1_656
O87 H23 2.7699 no . .
O87 H24 3.1354 no . .
O88 H19C 3.2247 no . 1_655
O88 H24 3.0432 no . .
O88 H44 3.4795 no . .
O90 H19C 2.7811 no . 1_655
O90 H34 2.4283 no . 1_655
O92 H14H 3.1006 no . 1_655
O100 H22B 3.4343 no . 1_666
O100 H22C 3.5593 no . 1_666
O101 H38 3.0952 no . .
O102 H14C 3.1487 no . 1_554
O102 H14D 3.2930 no . 1_554
O102 H137 3.5939 no . 1_554
O104 H65C 2.5259 no . 1_554
O106 H16B 3.3693 no . 1_665
O106 H151 3.1480 no . 1_665
O114 H24E 3.5548 no . 1_565
O114 H236 2.8861 no . 1_565
O114 H237 2.8197 no . 1_565
O115 H38 3.3100 no . .
O118 H14C 3.3865 no . 1_554
O118 H24K 3.1138 no . 1_565
O120 H24D 3.5508 no . 1_565
O120 H237 2.6674 no . 1_565
O120 H239 3.5554 no . 1_565
O129 H18 3.3940 no . .
O129 H19 3.0415 no . .
O130 H18 3.2989 no . .
O133 H16I 2.6259 no . 1_565
O135 H24E 2.8950 no . 1_565
O135 H154 3.4135 no . 1_565
O135 H236 2.8558 no . 1_565
O143 H17J 3.0158 no . 1_666
O145 H20C 3.1160 no . 1_556
O145 H21H 2.6884 no . 1_556
O147 H93C 2.7329 no . 1_455
O149 H17J 3.0722 no . 1_666
O149 H17K 3.0038 no . 1_666
O149 H40 3.5464 no . .
O158 H13 3.0560 no . .
O158 H14 3.4059 no . .
O159 H14 3.1563 no . .
O161 H13D 3.5871 no . 1_545
O161 H13F 2.5636 no . 1_545
O163 H11D 2.5917 no . 1_545
O163 H108 3.1083 no . 1_545
O163 H125 3.3104 no . 1_545
O171 H10A 3.4788 no . 1_445
O171 H23C 3.3126 no . 1_455
O172 H13 3.4662 no . .
O173 H12C 3.1454 no . 1_445
O173 H75C 3.5134 no . 1_455
O173 H91A 3.4953 no . 1_455
O173 H91C 2.6490 no . 1_455
O175 H12A 3.0346 no . 1_445
O175 H22C 2.9925 no . 1_556
O177 H49 2.9010 no . .
O177 H57A 3.2653 no . 1_444
O177 H57B 3.4594 no . 1_444
O177 H65A 2.8343 no . 1_444
O185 H61B 2.7195 no . 1_454
O185 H61C 3.1314 no . 1_454
O186 H50 3.5012 no . .
O186 H51 2.8417 no . .
O187 H89A 3.2883 no . 1_455
O187 H89C 2.8427 no . 1_455
O189 H44 2.5442 no . 1_455
O189 H89A 3.5262 no . 1_455
O189 H89C 3.2337 no . 1_455
O189 H91A 2.9072 no . 1_455
O189 H91C 3.4406 no . 1_455
O191 H23D 3.3457 no . 1_455
O191 H23F 2.8404 no . 1_455
O199 H67 2.5820 no . 1_454
O199 H69 3.3957 no . 1_454
O199 H75B 3.4988 no . 1_454
O203 H79C 2.5565 no . 1_454
O206 H75A 3.2951 no . 1_454
O214 H10H 2.6525 no . 1_444
O214 H16A 2.9743 no . 1_554
O214 H16C 3.4356 no . 1_554
O215 H29 3.0619 no . .
O216 H61A 3.4783 no . 1_554
O216 H63C 3.0297 no . 1_554
O218 H35 2.3385 no . 1_554
O218 H63C 3.0622 no . 1_554
O220 H10H 3.3427 no . 1_444
O220 H16A 3.5514 no . 1_554
O220 H16B 2.9917 no . 1_554
O220 H16C 3.0503 no . 1_554
O220 H17H 3.1825 no . 1_554
O228 H93B 3.1400 no . 1_444
O230 H17C 3.0804 no . 1_655
O230 H17D 3.4086 no . 1_655
O230 H19F 3.1171 no . 1_655
O230 H165 3.5355 no . 1_655
O232 H19F 2.4068 no . 1_655
O234 H49 2.9714 no . .
O234 H93B 2.9855 no . 1_444
O242 H11D 3.3457 no . 1_545
O242 H108 2.6266 no . 1_545
O242 H109 2.9288 no . 1_545
O243 H48 2.9438 no . .
O246 H12C 3.0272 no . 1_545
O246 H17C 3.0975 no . 1_655
O246 H17E 3.4740 no . 1_655
O248 H11C 3.0885 no . 1_545
O248 H109 2.3924 no . 1_545
O250 H17E 3.2945 no . 1_655
O250 H24D 3.3704 no . .
O250 H24G 2.7632 no . .
O250 H24H 3.2805 no . .
O250 H43 3.1079 no . .
O250 H75C 3.2564 no . .
O250 H77A 3.0548 no . .
O250 H91B 2.4772 no . .
O251 H13A 3.3648 no . .
O251 H13B 3.2116 no . .
O251 H13C 2.5379 no . .
O251 H19A 2.3610 no . .
O251 H19B 3.5526 no . .
O251 H33 3.5512 no . .
O251 H181 2.9470 no . .
O252 H11F 2.9363 no . .
O252 H11G 3.5182 no . .
O252 H11H 1.9257 no . .
O252 H14E 3.5423 no . 1_554
O252 H20C 3.3902 no . .
O252 H21G 3.5008 no . .
N2 H16E 3.2178 no . .
N3 H13B 3.2457 no . .
N4 H11F 2.9727 no . .
N5 H24H 2.8435 no . .
N6 H14F 3.4677 no . .
N6 H14G 3.2074 no . .
N6 H14H 3.4247 no . .
N6 H17G 3.2528 no . .
N6 H17H 3.4842 no . .
N6 H66 3.4464 no . 1_455
N6 H193 3.4488 no . 1_556
N7 H15B 3.3834 no . .
N7 H15C 2.7423 no . .
N7 H23G 3.0165 no . 1_666
N7 H23H 3.4756 no . 1_666
N7 H23I 3.3232 no . 1_666
N7 H99B 3.5497 no . .
N8 H10D 3.1770 no . .
N8 H10F 3.1775 no . .
N8 H18C 3.5259 no . 1_655
N8 H23E 3.4106 no . .
N8 H23F 3.4215 no . .
N8 H53 3.0523 no . 1_554
N8 H61B 3.0458 no . 1_554
N8 H89C 3.4650 no . .
N8 H180 2.7725 no . 1_655
N9 H17I 2.9005 no . .
N9 H17K 2.8918 no . .
N9 H22D 3.3972 no . .
N9 H23H 2.6816 no . .
C12 H16E 3.5502 no . .
C12 H153 3.5874 no . .
C13 H16E 3.5839 no . .
C13 H19B 3.4914 no . .
C13 H153 2.9079 no . .
C13 H167 3.4668 no . .
C13 H169 3.5691 no . .
C14 H16D 3.2944 no . .
C14 H16E 3.2747 no . .
C14 H17G 3.5034 no . .
C14 H19A 3.5215 no . .
C14 H19B 3.0216 no . .
C14 H153 2.9887 no . .
C14 H167 3.3020 no . .
C15 H16D 3.2579 no . .
C15 H16E 3.0321 no . .
C16 H13A 3.2413 no . .
C16 H16D 3.3044 no . .
C16 H16E 3.5054 no . .
C17 H13A 3.1246 no . .
C17 H13B 3.2587 no . .
C18 H13A 3.2527 no . .
C18 H13B 3.5962 no . .
C18 H14G 3.5653 no . .
C18 H63A 3.5617 no . .
C18 H63B 3.4026 no . .
C18 H124 3.1462 no . .
C18 H139 3.3136 no . .
C19 H124 2.9607 no . .
C19 H141 3.4765 no . .
C20 H13B 3.5337 no . .
C20 H124 3.5177 no . .
C22 H11F 3.1297 no . .
C23 H11F 3.2405 no . .
C23 H82 2.9438 no . .
C23 H84 3.5790 no . .
C23 H96 3.3540 no . .
C24 H10F 3.1961 no . .
C24 H11F 3.1167 no . .
C24 H11G 3.2885 no . .
C24 H82 2.9074 no . .
C24 H91B 3.5674 no . .
C24 H96 3.1418 no . .
C25 H11F 2.9043 no . .
C25 H11G 3.4536 no . .
C26 H11F 3.4449 no . .
C26 H11H 3.5264 no . .
C26 H24G 3.4017 no . .
C26 H24H 3.3757 no . .
C27 H24F 3.4463 no . .
C27 H24G 3.4470 no . .
C27 H24H 2.8339 no . .
C28 H21G 3.2761 no . .
C28 H23E 3.3330 no . .
C28 H24F 3.1086 no . .
C28 H24H 3.0969 no . .
C28 H210 3.1232 no . .
C28 H224 3.3446 no . .
C29 H24F 3.3786 no . .
C29 H24H 3.2125 no . .
C29 H210 3.1318 no . .
C29 H224 3.4701 no . .
C30 H24H 3.0236 no . .
C32 H13A 3.5130 no . .
C32 H16D 3.4135 no . .
C33 H13A 3.1827 no . .
C33 H14G 3.4891 no . .
C33 H17G 3.4170 no . .
C33 H19A 3.4063 no . .
C33 H19B 3.1844 no . .
C33 H19C 3.1630 no . .
C34 H14G 3.2874 no . .
C34 H17F 3.3662 no . .
C34 H17G 3.1599 no . .
C34 H19C 3.3615 no . .
C34 H66 3.5861 no . 1_455
C35 H14F 3.2848 no . .
C35 H14G 3.2639 no . .
C35 H16C 3.2399 no . .
C35 H17G 3.5207 no . .
C35 H63C 3.4115 no . .
C35 H209 3.5062 no . 1_556
C35 H211 3.5497 no . 1_556
C36 H14G 3.4810 no . .
C36 H16D 3.0376 no . .
C36 H63A 3.3598 no . .
C36 H63B 3.3563 no . .
C36 H63C 3.3100 no . .
C38 H98 3.0167 no . .
C38 H110 3.3938 no . .
C38 H112 3.1118 no . .
C39 H15B 3.4057 no . .
C39 H15C 3.3382 no . .
C39 H98 2.8545 no . .
C39 H99A 3.4324 no . .
C39 H99B 3.5399 no . .
C39 H112 3.2844 no . .
C40 H15C 3.5661 no . .
C40 H23G 3.5391 no . 1_666
C40 H23I 3.4447 no . 1_666
C40 H56 3.1473 no . .
C40 H70 2.9937 no . .
C40 H84 3.5974 no . .
C40 H85B 3.5909 no . .
C41 H56 3.2470 no . .
C41 H68 3.2864 no . .
C41 H70 3.1265 no . .
C42 H10F 3.1992 no . .
C42 H23E 3.5767 no . .
C42 H24G 3.5927 no . .
C43 H10F 3.2770 no . .
C43 H17D 3.4352 no . 1_655
C43 H17E 3.3074 no . 1_655
C43 H24G 3.1929 no . .
C43 H91A 3.0136 no . .
C43 H91B 3.3841 no . .
C44 H10F 3.2357 no . .
C44 H17D 3.3069 no . 1_655
C44 H23D 3.4761 no . .
C44 H89C 3.2634 no . .
C44 H91A 3.0771 no . .
C44 H180 2.9420 no . 1_655
C44 H182 3.5113 no . 1_655
C45 H10D 3.2132 no . .
C45 H10E 3.3592 no . .
C45 H10F 3.0678 no . .
C45 H14D 3.5167 no . 1_554
C45 H21F 3.1635 no . .
C45 H23E 3.2496 no . .
C45 H53 3.3403 no . 1_554
C46 H10E 3.4461 no . .
C46 H10F 3.0777 no . .
C46 H14D 3.4870 no . 1_554
C46 H14E 3.5096 no . 1_554
C46 H21F 3.0396 no . .
C46 H21G 3.3753 no . .
C46 H23E 3.3544 no . .
C48 H155 3.5265 no . .
C48 H226 3.3548 no . .
C48 H238 3.4083 no . .
C48 H240 3.1797 no . .
C49 H17I 3.4016 no . .
C49 H17K 3.3252 no . .
C49 H23H 3.3996 no . .
C49 H226 3.1747 no . .
C49 H240 3.3347 no . .
C50 H17I 3.4304 no . .
C50 H23H 3.5979 no . .
C50 H183 3.0019 no . .
C50 H197 3.1830 no . .
C50 H212 3.2141 no . .
C51 H183 3.1940 no . .
C51 H195 3.1411 no . .
C51 H197 3.4845 no . .
C52 H18C 3.3717 no . 1_656
C52 H18D 3.1306 no . 1_656
C52 H179 3.3299 no . 1_656
C52 H196 3.5903 no . 1_656
C53 H18C 3.5127 no . 1_656
C53 H45 3.4997 no . 1_556
C53 H179 3.3176 no . 1_656
C54 H45 3.3312 no . 1_556
C56 H40 3.4328 no . .
C57 H17J 2.9465 no . 1_666
C57 H17K 3.1985 no . 1_666
C61 H19G 3.5319 no . 1_656
C61 H21E 2.7908 no . 1_556
C61 H23F 3.3377 no . 1_556
C61 H179 3.0920 no . 1_656
C63 H18 3.5339 no . .
C63 H21E 3.5226 no . 1_556
C63 H21F 3.2937 no . 1_556
C63 H21H 3.2496 no . 1_556
C63 H35 3.5712 no . .
C63 H36 2.9048 no . .
C63 H45 3.5436 no . 1_556
C65 H10D 3.0279 no . 1_556
C65 H15D 2.9736 no . 1_666
C65 H16G 3.3659 no . 1_666
C65 H17A 3.3472 no . 1_666
C65 H17B 3.3415 no . 1_666
C67 H19H 3.3972 no . 1_656
C68 H19H 3.2716 no . 1_656
C68 H41 3.3720 no . .
C69 H19H 3.3183 no . 1_656
C69 H41 3.4227 no . .
C69 H196 3.4546 no . 1_656
C70 H40 3.3053 no . .
C70 H41 3.5546 no . .
C71 H40 3.3566 no . .
C71 H194 3.5604 no . 1_656
C75 H12B 3.2581 no . 1_545
C75 H17F 3.4005 no . 1_655
C75 H17H 3.1900 no . 1_655
C75 H22A 3.4289 no . 1_656
C77 H20D 3.5504 no . 1_656
C77 H24C 3.1260 no . .
C79 H11C 3.2364 no . 1_656
C79 H18D 3.0115 no . 1_656
C79 H18E 3.2260 no . 1_656
C79 H20A 3.2933 no . 1_656
C79 H24A 3.5371 no . 1_666
C79 H24J 3.2512 no . 1_666
C79 H194 3.4294 no . 1_656
C81 H19C 3.5264 no . 1_655
C82 H23 3.5278 no . .
C82 H24 3.4757 no . .
C82 H34 3.4454 no . 1_655
C83 H34 3.5804 no . 1_655
C84 H23 3.5603 no . .
C85 H23G 3.1417 no . 1_666
C89 H16G 3.3989 no . 1_665
C89 H18C 3.2402 no . 1_655
C89 H18E 3.2555 no . 1_655
C89 H19C 3.2873 no . 1_655
C91 H17E 2.8599 no . 1_655
C91 H17F 3.3769 no . 1_655
C91 H19C 2.7760 no . 1_655
C91 H34 3.3731 no . 1_655
C91 H43 2.9250 no . .
C91 H44 3.4782 no . .
C93 H14H 3.1051 no . 1_655
C93 H22E 3.4050 no . 1_666
C93 H24I 3.3441 no . 1_666
C96 H24 3.5386 no . .
C97 H23 3.5872 no . .
C98 H39 3.3128 no . .
C99 H22B 3.4286 no . 1_666
C99 H39 3.3790 no . .
C103 H14C 3.1967 no . 1_554
C103 H17B 3.3273 no . 1_665
C103 H23A 3.4222 no . 1_565
C103 H23B 3.3103 no . 1_565
C103 H23C 3.3821 no . 1_565
C103 H137 3.3294 no . 1_554
C105 H14D 3.2915 no . 1_554
C105 H24 3.3002 no . .
C105 H55 3.5603 no . 1_554
C105 H65B 3.5843 no . 1_554
C105 H65C 2.9953 no . 1_554
C107 H16A 3.2973 no . 1_665
C107 H16B 3.3596 no . 1_665
C107 H22E 3.5152 no . 1_666
C107 H152 3.5799 no . 1_665
C108 H236 3.1604 no . 1_565
C110 H38 3.2867 no . .
C111 H38 3.4007 no . .
C112 H38 3.2866 no . .
C112 H39 3.5754 no . .
C113 H22B 3.5300 no . 1_666
C113 H237 3.3360 no . 1_565
C117 H24A 3.2960 no . 1_565
C117 H24J 3.2847 no . 1_565
C117 H79C 3.3162 no . 1_454
C119 H14C 3.4999 no . 1_554
C119 H14E 3.3120 no . 1_554
C119 H46 3.5725 no . .
C121 H17C 3.1766 no . 1_665
C121 H22A 3.5404 no . 1_666
C121 H22C 3.1696 no . 1_666
C121 H24D 3.2084 no . 1_565
C121 H75A 3.5938 no . 1_565
C121 H75C 3.3253 no . 1_565
C121 H166 3.2921 no . 1_665
C121 H237 3.2790 no . 1_565
C124 H16I 3.5455 no . 1_565
C131 H33 3.4167 no . .
C131 H34 3.4736 no . .
C131 H81 2.7142 no . 1_455
C131 H83 3.2231 no . 1_455
C132 H81 3.0529 no . 1_455
C132 H83 3.1813 no . 1_455
C132 H93C 3.5132 no . 1_455
C134 H16I 3.5526 no . 1_565
C134 H33 3.4307 no . .
C136 H24E 3.3378 no . 1_565
C137 H10C 3.5414 no . 1_556
C138 H10C 3.4786 no . 1_556
C139 H18 3.4796 no . .
C141 H19 3.4394 no . .
C142 H17J 3.4103 no . 1_666
C142 H19D 3.1429 no . 1_666
C146 H10C 3.2603 no . 1_556
C146 H10E 3.2593 no . 1_556
C146 H11G 3.3989 no . 1_556
C146 H11H 3.3579 no . 1_556
C146 H20C 3.0942 no . 1_556
C146 H21H 2.9302 no . 1_556
C146 H24K 3.4969 no . 1_566
C146 H46 3.3128 no . 1_556
C148 H18 3.4340 no . .
C148 H20B 3.1554 no . 1_556
C148 H20C 3.5670 no . 1_556
C148 H93C 3.1733 no . 1_455
C150 H17I 3.4086 no . 1_666
C150 H17J 3.4821 no . 1_666
C150 H17K 2.9970 no . 1_666
C150 H18A 3.3712 no . 1_666
C150 H23H 3.5289 no . 1_666
C150 H39 3.5810 no . .
C153 H13F 3.5687 no . 1_545
C156 H11D 3.4273 no . 1_545
C156 H65A 3.2073 no . 1_444
C160 H10H 3.4442 no . 1_445
C160 H10I 3.4210 no . 1_445
C160 H209 2.8718 no . 1_556
C162 H13F 3.5049 no . 1_545
C162 H36 3.3471 no . .
C164 H11D 3.2279 no . 1_545
C164 H80 3.2487 no . 1_445
C164 H89B 3.2764 no . 1_445
C165 H23C 3.1088 no . 1_455
C166 H12A 3.5845 no . 1_445
C166 H12C 3.4356 no . 1_445
C166 H23C 3.2053 no . 1_455
C167 H14 3.5372 no . .
C169 H13 3.4884 no . .
C170 H10A 3.3526 no . 1_445
C170 H65A 3.2092 no . 1_444
C170 H65C 3.5203 no . 1_444
C174 H12C 2.8683 no . 1_445
C174 H23C 3.2161 no . 1_455
C174 H23D 3.5885 no . 1_455
C174 H24G 2.9218 no . 1_455
C174 H43 3.2754 no . 1_455
C174 H44 3.4898 no . 1_455
C174 H91A 3.4664 no . 1_455
C174 H91C 2.9907 no . 1_455
C176 H14 3.3808 no . .
C176 H22C 3.2142 no . 1_556
C176 H75B 3.2806 no . 1_455
C176 H75C 3.3196 no . 1_455
C176 H91C 3.4028 no . 1_455
C178 H15A 3.0178 no . 1_444
C178 H15C 3.4962 no . 1_444
C178 H49 3.3756 no . .
C178 H57A 3.2307 no . 1_444
C178 H57B 2.8964 no . 1_444
C179 H52 3.4969 no . 1_454
C179 H61B 3.0222 no . 1_454
C180 H44 3.2101 no . 1_455
C180 H61B 3.5044 no . 1_454
C180 H89C 3.3901 no . 1_455
C181 H44 3.2344 no . 1_455
C182 H44 3.4965 no . 1_455
C183 H50 3.5857 no . .
C184 H15A 3.1130 no . 1_444
C188 H52 3.0531 no . 1_454
C188 H53 3.5226 no . 1_454
C188 H65B 3.2570 no . 1_454
C188 H79A 3.2330 no . 1_454
C188 H79C 3.2155 no . 1_454
C188 H89A 3.5109 no . 1_455
C188 H89C 2.8228 no . 1_455
C190 H14 3.4640 no . .
C190 H33 2.7587 no . .
C190 H89A 3.2415 no . 1_455
C190 H91A 3.0799 no . 1_455
C190 H91C 3.2848 no . 1_455
C192 H14B 2.9853 no . 1_444
C192 H23A 3.3483 no . 1_455
C192 H23F 3.1727 no . 1_455
C192 H223 3.5347 no . 1_455
C193 H67 3.4625 no . 1_454
C195 H51 3.1075 no . .
C195 H79C 3.5788 no . 1_454
C196 H51 3.3564 no . .
C196 H52 3.5838 no . 1_454
C196 H69 3.3391 no . 1_454
C197 H50 3.3457 no . .
C197 H67 3.5064 no . 1_454
C197 H69 3.5583 no . 1_454
C198 H67 3.3690 no . 1_454
C198 H69 3.4047 no . 1_454
C202 H14E 3.4447 no . 1_554
C202 H14F 3.3152 no . 1_554
C202 H14H 3.3610 no . 1_554
C202 H24J 3.5527 no . 1_565
C204 H11E 3.4095 no . .
C204 H51 3.2091 no . .
C205 H11E 3.2570 no . .
C205 H79C 3.3372 no . 1_454
C207 H13D 3.4926 no . 1_444
C207 H24E 3.5569 no . 1_454
C207 H75A 3.4152 no . 1_454
C208 H10H 3.4769 no . 1_444
C208 H16A 3.1737 no . 1_554
C209 H16A 3.1889 no . 1_554
C209 H16C 3.4054 no . 1_554
C209 H35 3.3724 no . 1_554
C210 H35 3.2184 no . 1_554
C211 H35 3.5410 no . 1_554
C217 H61A 2.9857 no . 1_554
C217 H63C 3.3022 no . 1_554
C219 H14E 3.0004 no . 1_554
C219 H28 3.3675 no . .
C219 H35 3.3490 no . 1_554
C219 H45 3.5205 no . .
C219 H46 2.9089 no . .
C219 H63C 2.8908 no . 1_554
C221 H11B 3.2261 no . 1_444
C221 H12A 3.1130 no . 1_444
C221 H12B 3.4836 no . 1_444
C221 H16B 3.4713 no . 1_554
C221 H17H 3.1692 no . 1_554
C221 H75A 3.5785 no . 1_454
C221 H99A 3.2955 no . 1_444
C223 H19F 3.1983 no . 1_655
C224 H19F 3.3184 no . 1_655
C227 H93B 3.0757 no . 1_444
C231 H10B 3.0821 no . 1_545
C231 H10C 3.2943 no . 1_545
C231 H17C 3.1451 no . 1_655
C231 H19D 3.5291 no . 1_655
C231 H19F 3.5541 no . 1_655
C231 H165 3.2551 no . 1_655
C231 H166 3.5677 no . 1_655
C233 H19F 2.8884 no . 1_655
C233 H28 3.3580 no . .
C235 H15C 3.2673 no . 1_444
C235 H40 3.4761 no . 1_444
C235 H49 3.4462 no . .
C235 H85A 3.2645 no . 1_444
C235 H93B 3.5162 no . 1_444
C236 H108 3.0544 no . 1_545
C238 H48 3.4894 no . .
C240 H48 3.4344 no . .
C240 H109 3.5609 no . 1_545
C241 H11C 3.2855 no . 1_545
C241 H79B 3.4599 no . 1_444
C241 H109 3.1936 no . 1_545
C245 H12B 3.2782 no . 1_545
C245 H20D 3.3442 no . 1_656
C245 H77C 3.3496 no . .
C247 H17C 3.2897 no . 1_655
C247 H17E 3.2070 no . 1_655
C247 H43 3.5157 no . .
C249 H11C 3.0886 no . 1_545
C249 H20A 3.4400 no . 1_545
C249 H79B 3.2514 no . 1_444
C249 H109 3.0532 no . 1_545
H10A O64 3.4561 no . 1_554
H10A O171 3.4788 no . 1_665
H10A C170 3.3526 no . 1_665
H10A H17B 2.3982 no . 1_665
H10A H17J 3.5659 no . 1_665
H10A H23A 3.5172 no . 1_565
H10A H23C 3.5082 no . 1_565
H10A H137 2.9994 no . 1_554
H10B C231 3.0821 no . 1_565
H10B H17B 3.5768 no . 1_665
H10B H23A 3.1973 no . 1_565
H10B H23B 2.7949 no . 1_565
H10B H23C 2.7525 no . 1_565
H10B H166 3.3128 no . 1_665
H10C C137 3.5414 no . 1_554
H10C C138 3.4786 no . 1_554
H10C C146 3.2603 no . 1_554
H10C C231 3.2943 no . 1_565
H10C H14C 2.4634 no . 1_554
H10C H14D 3.2868 no . 1_554
H10C H23A 3.0071 no . 1_565
H10C H23B 2.9581 no . 1_565
H10C H23C 3.3836 no . 1_565
H10C H24K 3.5014 no . 1_565
H10C H137 3.0025 no . 1_554
H10C H138 2.7596 no . 1_554
H10D O64 3.3120 no . 1_554
H10D N8 3.1770 no . .
H10D C45 3.2132 no . .
H10D C65 3.0279 no . 1_554
H10D H14D 3.5318 no . 1_554
H10D H18C 3.2297 no . 1_655
H10D H45 3.3355 no . .
H10D H55 2.9741 no . 1_554
H10D H65B 2.8105 no . 1_554
H10D H65C 2.6254 no . 1_554
H10E C45 3.3592 no . .
H10E C46 3.4461 no . .
H10E C146 3.2593 no . 1_554
H10E H14C 3.4479 no . 1_554
H10E H14D 2.3749 no . 1_554
H10E H45 3.4110 no . .
H10E H46 3.5452 no . .
H10E H55 3.2329 no . 1_554
H10E H65C 3.3363 no . 1_554
H10E H137 3.2588 no . 1_554
H10F N8 3.1775 no . .
H10F C24 3.1961 no . .
H10F C42 3.1992 no . .
H10F C43 3.2770 no . .
H10F C44 3.2357 no . .
H10F C45 3.0678 no . .
H10F C46 3.0777 no . .
H10F H24 2.3868 no . .
H10F H45 3.5353 no . .
H10F H46 3.5359 no . .
H10G H22E 3.0011 no . 1_666
H10H O214 2.6525 no . 1_666
H10H O220 3.3427 no . 1_666
H10H C160 3.4442 no . 1_665
H10H C208 3.4769 no . 1_666
H10H H16A 2.9438 no . 1_665
H10H H16B 3.0497 no . 1_665
H10H H21A 3.2778 no . 1_666
H10H H22D 3.4165 no . 1_666
H10H H22E 3.1546 no . 1_666
H10H H208 3.1793 no . 1_666
H10I C160 3.4210 no . 1_665
H10I H16A 2.8306 no . 1_665
H10I H16B 3.1664 no . 1_665
H10I H151 3.4455 no . 1_665
H10I H152 2.7638 no . 1_665
H10I H208 3.4558 no . 1_666
H11A H20F 2.6810 no . 1_666
H11A H22A 3.4476 no . 1_666
H11A H22B 3.4348 no . 1_666
H11A H24D 3.4686 no . 1_565
H11A H24E 2.9604 no . 1_565
H11A H237 3.2186 no . 1_565
H11B C221 3.2261 no . 1_666
H11B H22A 3.3585 no . 1_666
H11B H22B 2.7561 no . 1_666
H11B H22C 3.0533 no . 1_666
H11B H39 3.2307 no . .
H11C O248 3.0885 no . 1_565
H11C C79 3.2364 no . 1_454
H11C C241 3.2855 no . 1_565
H11C C249 3.0886 no . 1_565
H11C H24A 2.6194 no . 1_565
H11C H24J 2.3560 no . 1_565
H11C H24K 3.5492 no . 1_565
H11C H79A 3.4970 no . 1_454
H11C H79B 3.0531 no . 1_454
H11C H79C 2.6852 no . 1_454
H11D O163 2.5917 no . 1_565
H11D O242 3.3457 no . 1_565
H11D C156 3.4273 no . 1_565
H11D C164 3.2279 no . 1_565
H11D H15E 3.2148 no . 1_565
H11D H16G 3.4865 no . 1_565
H11D H16I 2.9947 no . 1_565
H11D H24A 3.1033 no . 1_565
H11E C204 3.4095 no . .
H11E C205 3.2570 no . .
H11E H16I 3.5115 no . 1_565
H11E H18E 3.3352 no . .
H11E H79C 3.0750 no . 1_454
H11F O11 3.1106 no . .
H11F O252 2.9363 no . .
H11F N4 2.9727 no . .
H11F C22 3.1297 no . .
H11F C23 3.2405 no . .
H11F C24 3.1167 no . .
H11F C25 2.9043 no . .
H11F C26 3.4449 no . .
H11G O252 3.5182 no . .
H11G C24 3.2885 no . .
H11G C25 3.4536 no . .
H11G C146 3.3989 no . 1_554
H11G H14C 3.2505 no . 1_554
H11G H14D 3.2065 no . 1_554
H11G H14E 3.1684 no . 1_554
H11G H24 3.3553 no . .
H11G H46 3.2662 no . .
H11H O11 3.5603 no . .
H11H O252 1.9257 no . .
H11H C26 3.5264 no . .
H11H C146 3.3579 no . 1_554
H11H H14C 3.3013 no . 1_554
H11H H14D 3.5479 no . 1_554
H11H H14E 2.7327 no . 1_554
H11H H46 3.0225 no . .
H12A O175 3.0346 no . 1_665
H12A C166 3.5845 no . 1_665
H12A C221 3.1130 no . 1_666
H12A H17C 3.4535 no . 1_665
H12A H17H 3.5153 no . 1_665
H12A H22A 3.1488 no . 1_666
H12A H22B 3.3682 no . 1_666
H12A H22C 2.3963 no . 1_666
H12A H75C 3.3913 no . 1_565
H12A H166 2.9315 no . 1_665
H12B C75 3.2581 no . 1_565
H12B C221 3.4836 no . 1_666
H12B C245 3.2782 no . 1_565
H12B H20F 3.3603 no . 1_666
H12B H22A 3.0483 no . 1_666
H12B H22C 3.1250 no . 1_666
H12B H24D 2.5008 no . 1_565
H12B H24E 3.2269 no . 1_565
H12B H75A 2.7822 no . 1_565
H12B H75C 2.8372 no . 1_565
H12B H237 3.2135 no . 1_565
H12C O173 3.1454 no . 1_665
H12C O246 3.0272 no . 1_565
H12C C166 3.4356 no . 1_665
H12C C174 2.8683 no . 1_665
H12C H17C 2.2250 no . 1_665
H12C H17E 2.9608 no . 1_665
H12C H23C 3.5606 no . 1_565
H12C H24D 3.2870 no . 1_565
H12C H75C 3.2173 no . 1_565
H12C H166 2.7984 no . 1_665
H12C H237 3.3009 no . 1_565
H12D H19E 3.2190 no . 1_666
H12D H20E 3.1096 no . 1_666
H12D H20F 3.2591 no . 1_666
H12E H20F 3.2358 no . 1_666
H12E H24E 3.3675 no . 1_565
H13 O158 3.0560 no . .
H13 O172 3.4662 no . .
H13 C169 3.4884 no . .
H13 H19B 3.5437 no . .
H13 H153 2.9745 no . .
H13 H167 3.0319 no . .
H13 H169 2.6347 no . .
H13 H181 3.4229 no . .
H13A O251 3.3648 no . .
H13A C16 3.2413 no . .
H13A C17 3.1246 no . .
H13A C18 3.2527 no . .
H13A C32 3.5130 no . .
H13A C33 3.1827 no . .
H13A H18 3.3829 no . .
H13A H33 2.6189 no . .
H13B O11 2.5776 no . .
H13B O251 3.2116 no . .
H13B N3 3.2457 no . .
H13B C17 3.2587 no . .
H13B C18 3.5962 no . .
H13B C20 3.5337 no . .
H13C O11 3.4325 no . .
H13C O251 2.5379 no . .
H13C H16I 3.3932 no . 1_565
H13C H19A 3.3580 no . .
H13C H33 3.4209 no . .
H13C H89A 3.4356 no . 1_455
H13D O161 3.5871 no . 1_565
H13D C207 3.4926 no . 1_666
H13D H16F 3.5601 no . 1_565
H13D H19E 3.4986 no . 1_666
H13D H20D 3.4574 no . 1_666
H13D H20E 2.9550 no . 1_666
H13D H20F 3.5209 no . 1_666
H13D H21D 3.5751 no . 1_566
H13D H24C 3.3464 no . 1_565
H13D H24E 3.0115 no . 1_565
H13E H19E 3.1798 no . 1_666
H13E H21D 3.3876 no . 1_566
H13F O161 2.5636 no . 1_565
H13F C153 3.5687 no . 1_565
H13F C162 3.5049 no . 1_565
H13F H16F 3.3409 no . 1_565
H13F H21C 3.4569 no . 1_566
H13F H21D 3.4233 no . 1_566
H13F H24E 3.5236 no . 1_565
H13F H152 3.2938 no . 1_565
H13F H154 3.0661 no . 1_565
H13F H236 3.4772 no . 1_565
H14 O158 3.4059 no . .
H14 O159 3.1563 no . .
H14 C167 3.5372 no . .
H14 C176 3.3808 no . .
H14 C190 3.4640 no . .
H14 H16D 3.2737 no . .
H14 H17F 3.5362 no . .
H14 H17G 2.5555 no . .
H14 H19A 3.5054 no . .
H14 H19B 2.6356 no . .
H14 H153 3.1119 no . .
H14 H167 2.6698 no . .
H14A H19D 3.3147 no . 1_666
H14A H19E 3.3609 no . 1_666
H14B C192 2.9853 no . 1_666
H14B H17I 3.5950 no . 1_666
H14B H17J 2.9929 no . 1_666
H14B H18A 3.4958 no . 1_666
H14B H18B 3.3428 no . 1_666
H14B H19D 2.2168 no . 1_666
H14B H19E 2.9329 no . 1_666
H14C O102 3.1487 no . 1_556
H14C O118 3.3865 no . 1_556
H14C C103 3.1967 no . 1_556
H14C C119 3.4999 no . 1_556
H14C H10C 2.4634 no . 1_556
H14C H10E 3.4479 no . 1_556
H14C H11G 3.2505 no . 1_556
H14C H11H 3.3013 no . 1_556
H14C H20C 3.2891 no . 1_556
H14C H24K 2.7182 no . 1_566
H14D O102 3.2930 no . 1_556
H14D C45 3.5167 no . 1_556
H14D C46 3.4870 no . 1_556
H14D C105 3.2915 no . 1_556
H14D H10C 3.2868 no . 1_556
H14D H10D 3.5318 no . 1_556
H14D H10E 2.3749 no . 1_556
H14D H11G 3.2065 no . 1_556
H14D H11H 3.5479 no . 1_556
H14D H21H 3.3354 no . 1_556
H14D H45 3.0797 no . 1_556
H14D H46 3.0331 no . 1_556
H14E O252 3.5423 no . 1_556
H14E C46 3.5096 no . 1_556
H14E C119 3.3120 no . 1_556
H14E C202 3.4447 no . 1_556
H14E C219 3.0004 no . 1_556
H14E H11G 3.1684 no . 1_556
H14E H11H 2.7327 no . 1_556
H14E H20C 2.4922 no . 1_556
H14E H21F 3.3443 no . 1_556
H14E H21G 2.8617 no . 1_556
H14E H21H 2.3862 no . 1_556
H14E H24K 3.5136 no . 1_566
H14E H46 2.7069 no . 1_556
H14F N6 3.4677 no . .
H14F C35 3.2848 no . .
H14F C202 3.3152 no . 1_556
H14F H18 3.5377 no . .
H14F H20B 2.7490 no . 1_556
H14F H20C 2.9978 no . 1_556
H14F H21H 2.8810 no . 1_556
H14F H35 3.2649 no . .
H14G N6 3.2074 no . .
H14G C18 3.5653 no . .
H14G C33 3.4891 no . .
H14G C34 3.2874 no . .
H14G C35 3.2639 no . .
H14G C36 3.4810 no . .
H14G H18 2.6514 no . .
H14H O92 3.1006 no . 1_455
H14H N6 3.4247 no . .
H14H C93 3.1051 no . 1_455
H14H C202 3.3610 no . 1_556
H14H H20A 3.5476 no . 1_556
H14H H20B 2.6784 no . 1_556
H14H H20C 3.3800 no . 1_556
H14H H83 3.5598 no . 1_455
H14H H93A 3.1143 no . 1_455
H14H H93C 2.6576 no . 1_455
H15A C178 3.0178 no . 1_666
H15A C184 3.1130 no . 1_666
H15A H17I 2.7143 no . 1_666
H15A H17J 3.0807 no . 1_666
H15A H17K 2.7572 no . 1_666
H15A H18A 2.4728 no . 1_666
H15A H18B 2.8616 no . 1_666
H15A H19D 3.4051 no . 1_666
H15A H19E 3.4375 no . 1_666
H15B N7 3.3834 no . .
H15B C39 3.4057 no . .
H15B H18A 3.5030 no . 1_666
H15B H39 3.1557 no . .
H15C N7 2.7423 no . .
H15C C39 3.3382 no . .
H15C C40 3.5661 no . .
H15C C178 3.4962 no . 1_666
H15C C235 3.2673 no . 1_666
H15C H17I 3.5071 no . 1_666
H15C H17K 2.7930 no . 1_666
H15C H23G 3.5030 no . 1_666
H15C H23H 2.5898 no . 1_666
H15C H23I 3.2498 no . 1_666
H15C H39 3.2690 no . .
H15D C65 2.9736 no . 1_444
H15D H65A 2.2548 no . 1_444
H15D H65B 3.4227 no . 1_444
H15D H65C 2.9031 no . 1_444
H15E H11D 3.2148 no . 1_545
H15E H65A 3.4333 no . 1_444
H16A O214 2.9743 no . 1_556
H16A O220 3.5514 no . 1_556
H16A C107 3.2973 no . 1_445
H16A C208 3.1737 no . 1_556
H16A C209 3.1889 no . 1_556
H16A H10H 2.9438 no . 1_445
H16A H10I 2.8306 no . 1_445
H16A H21C 2.9909 no . 1_556
H16A H208 2.8670 no . 1_556
H16A H209 2.4206 no . 1_556
H16B O106 3.3693 no . 1_445
H16B O220 2.9917 no . 1_556
H16B C107 3.3596 no . 1_445
H16B C221 3.4713 no . 1_556
H16B H10H 3.0497 no . 1_445
H16B H10I 3.1664 no . 1_445
H16B H22C 3.0143 no . 1_556
H16C O214 3.4356 no . 1_556
H16C O220 3.0503 no . 1_556
H16C C35 3.2399 no . .
H16C C209 3.4054 no . 1_556
H16C H35 3.1226 no . .
H16C H209 2.4748 no . 1_556
H16C H211 2.9534 no . 1_556
H16D C14 3.2944 no . .
H16D C15 3.2579 no . .
H16D C16 3.3044 no . .
H16D C32 3.4135 no . .
H16D C36 3.0376 no . .
H16D H14 3.2737 no . .
H16D H21C 3.2817 no . 1_556
H16D H36 2.5320 no . .
H16E O10 3.0737 no . .
H16E N2 3.2178 no . .
H16E C12 3.5502 no . .
H16E C13 3.5839 no . .
H16E C14 3.2747 no . .
H16E C15 3.0321 no . .
H16E C16 3.5054 no . .
H16F H13D 3.5601 no . 1_545
H16F H13F 3.3409 no . 1_545
H16F H21C 3.3619 no . 1_556
H16F H36 3.3933 no . .
H16F H77C 2.8057 no . .
H16G C65 3.3659 no . 1_444
H16G C89 3.3989 no . 1_445
H16G H11D 3.4865 no . 1_545
H16G H65A 3.2103 no . 1_444
H16G H65B 3.4366 no . 1_444
H16G H65C 2.9121 no . 1_444
H16G H80 3.2020 no . 1_445
H16G H89A 3.3635 no . 1_445
H16G H89B 2.6052 no . 1_445
H16H H80 2.8144 no . 1_445
H16H H89B 3.4991 no . 1_445
H16H H97 3.2165 no . 1_445
H16I O133 2.6259 no . 1_545
H16I C124 3.5455 no . 1_545
H16I C134 3.5526 no . 1_545
H16I H11D 2.9947 no . 1_545
H16I H11E 3.5115 no . 1_545
H16I H13C 3.3932 no . 1_545
H16I H80 3.1965 no . 1_445
H16I H89A 3.3445 no . 1_445
H16I H89B 3.2602 no . 1_445
H16I H123 2.9813 no . 1_545
H16I H125 3.2524 no . 1_545
H17A C65 3.3472 no . 1_444
H17A H65A 2.9252 no . 1_444
H17A H65C 3.0944 no . 1_444
H17A H95 3.4041 no . 1_445
H17B O64 2.9898 no . 1_444
H17B C65 3.3415 no . 1_444
H17B C103 3.3273 no . 1_445
H17B H10A 2.3982 no . 1_445
H17B H10B 3.5768 no . 1_445
H17B H65A 3.2164 no . 1_444
H17B H65C 3.2151 no . 1_444
H17B H95 3.1809 no . 1_445
H17C O230 3.0804 no . 1_455
H17C O246 3.0975 no . 1_455
H17C C121 3.1766 no . 1_445
H17C C231 3.1451 no . 1_455
H17C C247 3.2897 no . 1_455
H17C H12A 3.4535 no . 1_445
H17C H12C 2.2250 no . 1_445
H17C H23B 3.5193 no . 1_455
H17C H23C 2.4777 no . 1_455
H17C H24F 3.4229 no . 1_455
H17C H24G 2.8368 no . 1_455
H17D O230 3.4086 no . 1_455
H17D C43 3.4352 no . 1_455
H17D C44 3.3069 no . 1_455
H17D H23C 3.2240 no . 1_455
H17D H23D 2.8124 no . 1_455
H17D H24G 3.1120 no . 1_455
H17D H43 3.0999 no . 1_455
H17D H44 2.8613 no . 1_455
H17D H91A 3.5484 no . 1_455
H17D H91C 3.4823 no . 1_455
H17E O246 3.4740 no . 1_455
H17E O250 3.2945 no . 1_455
H17E C43 3.3074 no . 1_455
H17E C91 2.8599 no . 1_455
H17E C247 3.2070 no . 1_455
H17E H12C 2.9608 no . 1_445
H17E H24F 3.5627 no . 1_455
H17E H24G 2.3691 no . 1_455
H17E H43 2.5800 no . 1_455
H17E H44 3.3483 no . 1_455
H17E H75C 3.1847 no . 1_455
H17E H91A 2.8957 no . 1_455
H17E H91B 2.7466 no . 1_455
H17E H91C 2.4639 no . 1_455
H17F C34 3.3662 no . .
H17F C75 3.4005 no . 1_455
H17F C91 3.3769 no . 1_455
H17F H14 3.5362 no . .
H17F H34 3.2097 no . .
H17F H75B 3.0543 no . 1_455
H17F H75C 2.8416 no . 1_455
H17F H91C 2.4482 no . 1_455
H17G N6 3.2528 no . .
H17G C14 3.5034 no . .
H17G C33 3.4170 no . .
H17G C34 3.1599 no . .
H17G C35 3.5207 no . .
H17G H14 2.5555 no . .
H17G H34 3.4627 no . .
H17H O220 3.1825 no . 1_556
H17H N6 3.4842 no . .
H17H C75 3.1900 no . 1_455
H17H C221 3.1692 no . 1_556
H17H H12A 3.5153 no . 1_445
H17H H22A 3.3609 no . 1_556
H17H H22C 2.5612 no . 1_556
H17H H75A 3.5359 no . 1_455
H17H H75B 2.6270 no . 1_455
H17H H75C 2.9692 no . 1_455
H17I N9 2.9005 no . .
H17I C49 3.4016 no . .
H17I C50 3.4304 no . .
H17I C150 3.4086 no . 1_444
H17I H14B 3.5950 no . 1_444
H17I H15A 2.7143 no . 1_444
H17I H15C 3.5071 no . 1_444
H17I H49 3.5168 no . .
H17I H50 3.5804 no . .
H17J O64 3.0040 no . 1_444
H17J O143 3.0158 no . 1_444
H17J O149 3.0722 no . 1_444
H17J C57 2.9465 no . 1_444
H17J C142 3.4103 no . 1_444
H17J C150 3.4821 no . 1_444
H17J H10A 3.5659 no . 1_445
H17J H14B 2.9929 no . 1_444
H17J H15A 3.0807 no . 1_444
H17J H57A 3.0891 no . 1_444
H17J H57B 2.3384 no . 1_444
H17K O149 3.0038 no . 1_444
H17K N9 2.8918 no . .
H17K C49 3.3252 no . .
H17K C57 3.1985 no . 1_444
H17K C150 2.9970 no . 1_444
H17K H15A 2.7572 no . 1_444
H17K H15C 2.7930 no . 1_444
H17K H49 3.0953 no . .
H17K H57A 2.8721 no . 1_444
H17K H57B 2.7091 no . 1_444
H18 O129 3.3940 no . .
H18 O130 3.2989 no . .
H18 C63 3.5339 no . .
H18 C139 3.4796 no . .
H18 C148 3.4340 no . .
H18 H13A 3.3829 no . .
H18 H14F 3.5377 no . .
H18 H14G 2.6514 no . .
H18 H63A 3.3637 no . .
H18 H63B 2.8390 no . .
H18 H124 3.3606 no . .
H18 H139 2.5852 no . .
H18A C150 3.3712 no . 1_444
H18A H14B 3.4958 no . 1_444
H18A H15A 2.4728 no . 1_444
H18A H15B 3.5030 no . 1_444
H18A H50 3.5203 no . .
H18B H14B 3.3428 no . 1_444
H18B H15A 2.8616 no . 1_444
H18C O58 3.2044 no . 1_454
H18C N8 3.5259 no . 1_455
H18C C52 3.3717 no . 1_454
H18C C53 3.5127 no . 1_454
H18C C89 3.2402 no . 1_455
H18C H10D 3.2297 no . 1_455
H18C H52 2.9327 no . 1_454
H18C H53 2.7821 no . 1_454
H18C H65B 2.8332 no . 1_454
H18C H89A 3.5157 no . 1_455
H18C H89B 3.3863 no . 1_455
H18C H89C 2.4247 no . 1_455
H18D O58 3.2344 no . 1_454
H18D O78 3.0235 no . 1_454
H18D C52 3.1306 no . 1_454
H18D C79 3.0115 no . 1_454
H18D H52 2.3307 no . 1_454
H18D H53 3.4059 no . 1_454
H18D H65B 3.5240 no . 1_454
H18D H79A 2.8534 no . 1_454
H18D H79C 2.7206 no . 1_454
H18E C79 3.2260 no . 1_454
H18E C89 3.2555 no . 1_455
H18E H11E 3.3352 no . .
H18E H65B 2.9303 no . 1_454
H18E H79A 2.8026 no . 1_454
H18E H79C 2.8268 no . 1_454
H18E H89A 3.1520 no . 1_455
H18E H89B 3.2672 no . 1_455
H18E H89C 2.8156 no . 1_455
H19 O129 3.0415 no . .
H19 C141 3.4394 no . .
H19 H124 3.0291 no . .
H19 H139 3.2657 no . .
H19 H141 2.5752 no . .
H19A O251 2.3610 no . .
H19A C14 3.5215 no . .
H19A C33 3.4063 no . .
H19A H13C 3.3580 no . .
H19A H14 3.5054 no . .
H19A H33 2.5714 no . .
H19A H89A 3.0270 no . 1_455
H19A H89C 3.5885 no . 1_455
H19B O251 3.5526 no . .
H19B C13 3.4914 no . .
H19B C14 3.0216 no . .
H19B C33 3.1844 no . .
H19B H13 3.5437 no . .
H19B H14 2.6356 no . .
H19B H33 2.7068 no . .
H19B H34 3.5232 no . .
H19B H91A 3.5410 no . 1_455
H19B H91C 3.2954 no . 1_455
H19C O88 3.2247 no . 1_455
H19C O90 2.7811 no . 1_455
H19C C33 3.1630 no . .
H19C C34 3.3615 no . .
H19C C81 3.5264 no . 1_455
H19C C89 3.2873 no . 1_455
H19C C91 2.7760 no . 1_455
H19C H33 2.5297 no . .
H19C H34 2.8944 no . .
H19C H81 3.0919 no . 1_455
H19C H89A 2.8012 no . 1_455
H19C H89C 3.3570 no . 1_455
H19C H91A 2.4465 no . 1_455
H19C H91C 2.7153 no . 1_455
H19D C142 3.1429 no . 1_444
H19D C231 3.5291 no . 1_455
H19D H14A 3.3147 no . 1_444
H19D H14B 2.2168 no . 1_444
H19D H15A 3.4051 no . 1_444
H19D H23A 2.8148 no . 1_455
H19D H140 3.5849 no . 1_444
H19D H223 3.4806 no . 1_455
H19E H12D 3.2190 no . 1_444
H19E H13D 3.4986 no . 1_444
H19E H13E 3.1798 no . 1_444
H19E H14A 3.3609 no . 1_444
H19E H14B 2.9329 no . 1_444
H19E H15A 3.4375 no . 1_444
H19E H23F 3.5523 no . 1_455
H19F O230 3.1171 no . 1_455
H19F O232 2.4068 no . 1_455
H19F C223 3.1983 no . 1_455
H19F C224 3.3184 no . 1_455
H19F C231 3.5541 no . 1_455
H19F C233 2.8884 no . 1_455
H19F H21D 3.5909 no . 1_455
H19F H23A 3.0923 no . 1_455
H19F H23D 3.0593 no . 1_455
H19F H23F 2.6660 no . 1_455
H19F H223 2.7388 no . 1_455
H19G C61 3.5319 no . 1_454
H19G H61B 3.5089 no . 1_454
H19G H61C 2.9885 no . 1_454
H19H O60 3.3799 no . 1_454
H19H O76 2.6678 no . 1_454
H19H C67 3.3972 no . 1_454
H19H C68 3.2716 no . 1_454
H19H C69 3.3183 no . 1_454
H19H H52 3.5719 no . 1_454
H19H H61C 3.4055 no . 1_454
H19H H67 2.6801 no . 1_454
H19H H69 2.5928 no . 1_454
H19H H75A 3.4343 no . 1_454
H20A O72 3.5895 no . 1_454
H20A O78 3.1273 no . 1_454
H20A C79 3.2933 no . 1_454
H20A C249 3.4400 no . 1_565
H20A H14H 3.5476 no . 1_554
H20A H24I 3.3530 no . 1_565
H20A H24J 2.8850 no . 1_565
H20A H24K 3.5546 no . 1_565
H20A H71A 3.5354 no . 1_454
H20A H79B 3.0589 no . 1_454
H20A H79C 3.1515 no . 1_454
H20A H93A 3.1327 no . 1_454
H20B C148 3.1554 no . 1_554
H20B H14F 2.7490 no . 1_554
H20B H14H 2.6784 no . 1_554
H20C O145 3.1160 no . 1_554
H20C O252 3.3902 no . .
H20C C146 3.0942 no . 1_554
H20C C148 3.5670 no . 1_554
H20C H14C 3.2891 no . 1_554
H20C H14E 2.4922 no . 1_554
H20C H14F 2.9978 no . 1_554
H20C H14H 3.3800 no . 1_554
H20C H24J 3.3641 no . 1_565
H20C H24K 3.3479 no . 1_565
H20D O76 2.9228 no . 1_454
H20D C77 3.5504 no . 1_454
H20D C245 3.3442 no . 1_454
H20D H13D 3.4574 no . 1_444
H20D H24C 3.0519 no . 1_454
H20D H24D 3.2422 no . 1_454
H20D H24E 3.1769 no . 1_454
H20D H61C 3.4515 no . 1_454
H20D H75A 2.9943 no . 1_454
H20D H77C 3.1310 no . 1_454
H20E H12D 3.1096 no . 1_444
H20E H13D 2.9550 no . 1_444
H20E H61C 3.1697 no . 1_454
H20F H11A 2.6810 no . 1_444
H20F H12B 3.3603 no . 1_444
H20F H12D 3.2591 no . 1_444
H20F H12E 3.2358 no . 1_444
H20F H13D 3.5209 no . 1_444
H20F H24D 3.5461 no . 1_454
H20F H24E 3.1376 no . 1_454
H20F H75A 3.4292 no . 1_454
H21A H10H 3.2778 no . 1_444
H21A H50 3.5010 no . .
H21A H99A 3.3647 no . 1_444
H21B H50 3.1652 no . .
H21C H13F 3.4569 no . 1_544
H21C H16A 2.9909 no . 1_554
H21C H16D 3.2817 no . 1_554
H21C H16F 3.3619 no . 1_554
H21C H36 3.5498 no . 1_554
H21C H61A 3.5235 no . 1_554
H21C H63C 3.2918 no . 1_554
H21D H13D 3.5751 no . 1_544
H21D H13E 3.3876 no . 1_544
H21D H13F 3.4233 no . 1_544
H21D H19F 3.5909 no . 1_655
H21D H61A 3.5049 no . 1_554
H21E C61 2.7908 no . 1_554
H21E C63 3.5226 no . 1_554
H21E H61A 2.0366 no . 1_554
H21E H61B 3.3475 no . 1_554
H21E H61C 2.7463 no . 1_554
H21E H63A 3.3863 no . 1_554
H21E H63C 3.0185 no . 1_554
H21F O62 3.3450 no . 1_554
H21F C45 3.1635 no . .
H21F C46 3.0396 no . .
H21F C63 3.2937 no . 1_554
H21F H14E 3.3443 no . 1_554
H21F H28 2.9809 no . .
H21F H45 2.7789 no . .
H21F H46 2.5767 no . .
H21F H63C 2.5537 no . 1_554
H21G O252 3.5008 no . .
H21G C28 3.2761 no . .
H21G C46 3.3753 no . .
H21G H14E 2.8617 no . 1_554
H21G H28 2.8980 no . .
H21G H46 2.5838 no . .
H21H O62 3.5450 no . 1_554
H21H O145 2.6884 no . 1_554
H21H C63 3.2496 no . 1_554
H21H C146 2.9302 no . 1_554
H21H H14D 3.3354 no . 1_554
H21H H14E 2.3862 no . 1_554
H21H H14F 2.8810 no . 1_554
H21H H35 3.2992 no . 1_554
H21H H45 3.5001 no . .
H21H H46 3.1083 no . .
H21H H63B 3.1514 no . 1_554
H21H H63C 2.7006 no . 1_554
H22A C75 3.4289 no . 1_454
H22A C121 3.5404 no . 1_444
H22A H11A 3.4476 no . 1_444
H22A H11B 3.3585 no . 1_444
H22A H12A 3.1488 no . 1_444
H22A H12B 3.0483 no . 1_444
H22A H17H 3.3609 no . 1_554
H22A H75A 2.7802 no . 1_454
H22A H75B 3.3467 no . 1_454
H22B O100 3.4343 no . 1_444
H22B C99 3.4286 no . 1_444
H22B C113 3.5300 no . 1_444
H22B H11A 3.4348 no . 1_444
H22B H11B 2.7561 no . 1_444
H22B H12A 3.3682 no . 1_444
H22B H99A 2.5142 no . 1_444
H22C O100 3.5593 no . 1_444
H22C O175 2.9925 no . 1_554
H22C C121 3.1696 no . 1_444
H22C C176 3.2142 no . 1_554
H22C H11B 3.0533 no . 1_444
H22C H12A 2.3963 no . 1_444
H22C H12B 3.1250 no . 1_444
H22C H16B 3.0143 no . 1_554
H22C H17H 2.5612 no . 1_554
H22C H75A 3.5843 no . 1_454
H22C H99A 3.4476 no . 1_444
H22D N9 3.3972 no . .
H22D H10H 3.4165 no . 1_444
H22E C93 3.4050 no . 1_444
H22E C107 3.5152 no . 1_444
H22E H10G 3.0011 no . 1_444
H22E H10H 3.1546 no . 1_444
H22E H85A 3.0381 no . 1_444
H22E H93B 2.4506 no . 1_444
H23 O87 2.7699 no . .
H23 C82 3.5278 no . .
H23 C84 3.5603 no . .
H23 C97 3.5872 no . .
H23 H82 2.7052 no . .
H23 H84 2.7046 no . .
H23 H96 3.2080 no . .
H23 H98 2.8752 no . .
H23A C103 3.4222 no . 1_545
H23A C192 3.3483 no . 1_655
H23A H10A 3.5172 no . 1_545
H23A H10B 3.1973 no . 1_545
H23A H10C 3.0071 no . 1_545
H23A H19D 2.8148 no . 1_655
H23A H19F 3.0923 no . 1_655
H23A H165 3.3949 no . 1_655
H23B C103 3.3103 no . 1_545
H23B H10B 2.7949 no . 1_545
H23B H10C 2.9581 no . 1_545
H23B H17C 3.5193 no . 1_655
H23C O171 3.3126 no . 1_655
H23C C103 3.3821 no . 1_545
H23C C165 3.1088 no . 1_655
H23C C166 3.2053 no . 1_655
H23C C174 3.2161 no . 1_655
H23C H10A 3.5082 no . 1_545
H23C H10B 2.7525 no . 1_545
H23C H10C 3.3836 no . 1_545
H23C H12C 3.5606 no . 1_545
H23C H17C 2.4777 no . 1_655
H23C H17D 3.2240 no . 1_655
H23C H165 2.5265 no . 1_655
H23C H166 2.5935 no . 1_655
H23D O191 3.3457 no . 1_655
H23D C44 3.4761 no . .
H23D C174 3.5885 no . 1_655
H23D H17D 2.8124 no . 1_655
H23D H19F 3.0593 no . 1_655
H23D H28 3.5225 no . .
H23D H182 3.4883 no . 1_655
H23E N8 3.4106 no . .
H23E C28 3.3330 no . .
H23E C42 3.5767 no . .
H23E C45 3.2496 no . .
H23E C46 3.3544 no . .
H23E H28 2.4890 no . .
H23E H45 3.5902 no . .
H23F O191 2.8404 no . 1_655
H23F N8 3.4215 no . .
H23F C61 3.3377 no . 1_554
H23F C192 3.1727 no . 1_655
H23F H19E 3.5523 no . 1_655
H23F H19F 2.6660 no . 1_655
H23F H61A 3.1016 no . 1_554
H23F H61B 2.9590 no . 1_554
H23F H61C 3.4120 no . 1_554
H23F H182 3.5168 no . 1_655
H23G N7 3.0165 no . 1_444
H23G C40 3.5391 no . 1_444
H23G C85 3.1417 no . 1_444
H23G H15C 3.5030 no . 1_444
H23G H40 3.2807 no . 1_444
H23G H85A 2.3856 no . 1_444
H23G H85B 3.0284 no . 1_444
H23G H93B 3.1445 no . 1_444
H23G H99B 3.4145 no . 1_444
H23H N7 3.4756 no . 1_444
H23H N9 2.6816 no . .
H23H C49 3.3996 no . .
H23H C50 3.5979 no . .
H23H C150 3.5289 no . 1_444
H23H H15C 2.5898 no . 1_444
H23H H49 3.3119 no . .
H23I N7 3.3232 no . 1_444
H23I C40 3.4447 no . 1_444
H23I H15C 3.2498 no . 1_444
H23I H40 2.8492 no . 1_444
H23I H49 3.4053 no . .
H23I H57A 3.3726 no . 1_444
H23I H71A 3.3511 no . 1_444
H23I H71B 3.3648 no . 1_444
H23I H85A 3.5882 no . 1_444
H23I H85B 3.5768 no . 1_444
H24 O87 3.1354 no . .
H24 O88 3.0432 no . .
H24 C82 3.4757 no . .
H24 C96 3.5386 no . .
H24 C105 3.3002 no . .
H24 H10F 2.3868 no . .
H24 H11G 3.3553 no . .
H24 H82 2.6265 no . .
H24 H91A 3.4790 no . .
H24 H91B 3.3681 no . .
H24 H96 2.7881 no . .
H24A C79 3.5371 no . 1_444
H24A C117 3.2960 no . 1_545
H24A H11C 2.6194 no . 1_545
H24A H11D 3.1033 no . 1_545
H24A H79A 3.5657 no . 1_444
H24A H79B 2.8316 no . 1_444
H24A H109 3.1603 no . 1_545
H24B H49 3.5611 no . .
H24B H79B 3.3630 no . 1_444
H24C O10 3.5142 no . .
H24C C77 3.1260 no . .
H24C H13D 3.3464 no . 1_545
H24C H20D 3.0519 no . 1_656
H24C H77A 3.0935 no . .
H24C H77C 2.4310 no . .
H24D O120 3.5508 no . 1_545
H24D O250 3.3704 no . .
H24D C121 3.2084 no . 1_545
H24D H11A 3.4686 no . 1_545
H24D H12B 2.5008 no . 1_545
H24D H12C 3.2870 no . 1_545
H24D H20D 3.2422 no . 1_656
H24D H20F 3.5461 no . 1_656
H24D H75A 3.3634 no . .
H24D H77C 3.5286 no . .
H24E O114 3.5548 no . 1_545
H24E O135 2.8950 no . 1_545
H24E C136 3.3378 no . 1_545
H24E C207 3.5569 no . 1_656
H24E H11A 2.9604 no . 1_545
H24E H12B 3.2269 no . 1_545
H24E H12E 3.3675 no . 1_545
H24E H13D 3.0115 no . 1_545
H24E H13F 3.5236 no . 1_545
H24E H20D 3.1769 no . 1_656
H24E H20F 3.1376 no . 1_656
H24F C27 3.4463 no . .
H24F C28 3.1086 no . .
H24F C29 3.3786 no . .
H24F H17C 3.4229 no . 1_655
H24F H17E 3.5627 no . 1_655
H24F H28 3.2392 no . .
H24G O250 2.7632 no . .
H24G C26 3.4017 no . .
H24G C27 3.4470 no . .
H24G C42 3.5927 no . .
H24G C43 3.1929 no . .
H24G C174 2.9218 no . 1_655
H24G H17C 2.8368 no . 1_655
H24G H17D 3.1120 no . 1_655
H24G H17E 2.3691 no . 1_655
H24G H43 2.6349 no . .
H24H O10 2.9499 no . .
H24H O250 3.2805 no . .
H24H N5 2.8435 no . .
H24H C26 3.3757 no . .
H24H C27 2.8339 no . .
H24H C28 3.0969 no . .
H24H C29 3.2125 no . .
H24H C30 3.0236 no . .
H24I C93 3.3441 no . 1_444
H24I H20A 3.3530 no . 1_545
H24I H79B 3.1911 no . 1_444
H24I H93A 2.9161 no . 1_444
H24I H93B 3.3889 no . 1_444
H24I H93C 3.1855 no . 1_444
H24J C79 3.2512 no . 1_444
H24J C117 3.2847 no . 1_545
H24J C202 3.5527 no . 1_545
H24J H11C 2.3560 no . 1_545
H24J H20A 2.8850 no . 1_545
H24J H20C 3.3641 no . 1_545
H24J H79B 2.5389 no . 1_444
H24J H79C 3.1011 no . 1_444
H24J H109 3.0161 no . 1_545
H24K O118 3.1138 no . 1_545
H24K C146 3.4969 no . 1_544
H24K H10C 3.5014 no . 1_545
H24K H11C 3.5492 no . 1_545
H24K H14C 2.7182 no . 1_544
H24K H14E 3.5136 no . 1_544
H24K H20A 3.5546 no . 1_545
H24K H20C 3.3479 no . 1_545
H24K H109 3.1254 no . 1_545
H28 C219 3.3675 no . .
H28 C233 3.3580 no . .
H28 H21F 2.9809 no . .
H28 H21G 2.8980 no . .
H28 H23D 3.5225 no . .
H28 H23E 2.4890 no . .
H28 H24F 3.2392 no . .
H28 H210 2.7024 no . .
H28 H224 3.0194 no . .
H29 O215 3.0619 no . .
H29 H210 2.7180 no . .
H29 H212 3.1306 no . .
H29 H224 3.2764 no . .
H29 H226 3.0716 no . .
H33 O251 3.5512 no . .
H33 C131 3.4167 no . .
H33 C134 3.4307 no . .
H33 C190 2.7587 no . .
H33 H13A 2.6189 no . .
H33 H13C 3.4209 no . .
H33 H19A 2.5714 no . .
H33 H19B 2.7068 no . .
H33 H19C 2.5297 no . .
H34 O90 2.4283 no . 1_455
H34 C82 3.4454 no . 1_455
H34 C83 3.5804 no . 1_455
H34 C91 3.3731 no . 1_455
H34 C131 3.4736 no . .
H34 H17F 3.2097 no . .
H34 H17G 3.4627 no . .
H34 H19B 3.5232 no . .
H34 H19C 2.8944 no . .
H34 H66 3.0103 no . 1_455
H34 H81 3.3644 no . 1_455
H34 H83 2.9026 no . 1_455
H34 H91C 3.2157 no . 1_455
H35 O218 2.3385 no . 1_556
H35 C63 3.5712 no . .
H35 C209 3.3724 no . 1_556
H35 C210 3.2184 no . 1_556
H35 C211 3.5410 no . 1_556
H35 C219 3.3490 no . 1_556
H35 H14F 3.2649 no . .
H35 H16C 3.1226 no . .
H35 H21H 3.2992 no . 1_556
H35 H63B 3.4848 no . .
H35 H63C 2.8942 no . .
H35 H193 3.4356 no . 1_556
H35 H209 2.7754 no . 1_556
H35 H211 2.9262 no . 1_556
H36 C63 2.9048 no . .
H36 C162 3.3471 no . .
H36 H16D 2.5320 no . .
H36 H16F 3.3933 no . .
H36 H21C 3.5498 no . 1_556
H36 H63A 2.5691 no . .
H36 H63B 2.9362 no . .
H36 H63C 2.7235 no . .
H38 O101 3.0952 no . .
H38 O115 3.3100 no . .
H38 C110 3.2867 no . .
H38 C111 3.4007 no . .
H38 C112 3.2866 no . .
H38 H98 2.9350 no . .
H38 H110 2.4573 no . .
H38 H112 2.4437 no . .
H39 C98 3.3128 no . .
H39 C99 3.3790 no . .
H39 C112 3.5754 no . .
H39 C150 3.5810 no . .
H39 H11B 3.2307 no . .
H39 H15B 3.1557 no . .
H39 H15C 3.2690 no . .
H39 H98 2.6350 no . .
H39 H99A 2.9002 no . .
H39 H99B 3.4207 no . .
H39 H112 2.7560 no . .
H40 O59 3.5810 no . .
H40 O149 3.5464 no . .
H40 C56 3.4328 no . .
H40 C70 3.3053 no . .
H40 C71 3.3566 no . .
H40 C235 3.4761 no . 1_666
H40 H23G 3.2807 no . 1_666
H40 H23I 2.8492 no . 1_666
H40 H56 2.6031 no . .
H40 H57A 3.3446 no . .
H40 H57B 3.4581 no . .
H40 H70 2.5546 no . .
H40 H71A 3.4908 no . .
H40 H71B 2.7972 no . .
H40 H85B 3.2950 no . .
H41 O59 2.8896 no . .
H41 C68 3.3720 no . .
H41 C69 3.4227 no . .
H41 C70 3.5546 no . .
H41 H54 3.4056 no . .
H41 H56 2.8182 no . .
H41 H68 2.6026 no . .
H41 H70 2.8371 no . .
H41 H77A 3.5915 no . .
H41 H77B 3.1090 no . .
H43 O250 3.1079 no . .
H43 C91 2.9250 no . .
H43 C174 3.2754 no . 1_655
H43 C247 3.5157 no . .
H43 H17D 3.0999 no . 1_655
H43 H17E 2.5800 no . 1_655
H43 H24G 2.6349 no . .
H43 H91A 2.4848 no . .
H43 H91B 2.5496 no . .
H43 H91C 3.3758 no . .
H44 O88 3.4795 no . .
H44 O189 2.5442 no . 1_655
H44 C91 3.4782 no . .
H44 C174 3.4898 no . 1_655
H44 C180 3.2101 no . 1_655
H44 C181 3.2344 no . 1_655
H44 C182 3.4965 no . 1_655
H44 H17D 2.8613 no . 1_655
H44 H17E 3.3483 no . 1_655
H44 H89C 2.9585 no . .
H44 H91A 2.5758 no . .
H44 H180 2.4268 no . 1_655
H44 H182 2.8423 no . 1_655
H45 O62 2.4623 no . 1_554
H45 C53 3.4997 no . 1_554
H45 C54 3.3312 no . 1_554
H45 C63 3.5436 no . 1_554
H45 C219 3.5205 no . .
H45 H10D 3.3355 no . .
H45 H10E 3.4110 no . .
H45 H10F 3.5353 no . .
H45 H14D 3.0797 no . 1_554
H45 H21F 2.7789 no . .
H45 H21H 3.5001 no . .
H45 H23E 3.5902 no . .
H45 H53 2.8645 no . 1_554
H45 H55 3.0244 no . 1_554
H45 H61A 3.2381 no . 1_554
H45 H61B 3.4289 no . 1_554
H45 H63C 3.4922 no . 1_554
H46 C119 3.5725 no . .
H46 C146 3.3128 no . 1_554
H46 C219 2.9089 no . .
H46 H10E 3.5452 no . .
H46 H10F 3.5359 no . .
H46 H11G 3.2662 no . .
H46 H11H 3.0225 no . .
H46 H14D 3.0331 no . 1_554
H46 H14E 2.7069 no . 1_554
H46 H21F 2.5767 no . .
H46 H21G 2.5838 no . .
H46 H21H 3.1083 no . .
H48 O243 2.9438 no . .
H48 C238 3.4894 no . .
H48 C240 3.4344 no . .
H48 H153 3.5801 no . .
H48 H155 3.0717 no . .
H48 H226 3.5559 no . .
H48 H238 2.6373 no . .
H48 H240 2.5177 no . .
H49 O177 2.9010 no . .
H49 O234 2.9714 no . .
H49 C178 3.3756 no . .
H49 C235 3.4462 no . .
H49 H17I 3.5168 no . .
H49 H17K 3.0953 no . .
H49 H23H 3.3119 no . .
H49 H23I 3.4053 no . .
H49 H24B 3.5611 no . .
H49 H155 3.3261 no . .
H49 H226 3.2643 no . .
H49 H240 2.8135 no . .
H50 O186 3.5012 no . .
H50 C183 3.5857 no . .
H50 C197 3.3457 no . .
H50 H17I 3.5804 no . .
H50 H18A 3.5203 no . .
H50 H21A 3.5010 no . .
H50 H21B 3.1652 no . .
H50 H183 2.7085 no . .
H50 H197 2.4124 no . .
H50 H212 3.1074 no . .
H51 O186 2.8417 no . .
H51 C195 3.1075 no . .
H51 C196 3.3564 no . .
H51 C204 3.2091 no . .
H51 H181 3.5149 no . .
H51 H183 3.0562 no . .
H51 H195 2.2817 no . .
H51 H197 3.0532 no . .
H52 C179 3.4969 no . 1_656
H52 C188 3.0531 no . 1_656
H52 C196 3.5838 no . 1_656
H52 H18C 2.9327 no . 1_656
H52 H18D 2.3307 no . 1_656
H52 H19H 3.5719 no . 1_656
H52 H179 2.5363 no . 1_656
H52 H196 2.6189 no . 1_656
H53 N8 3.0523 no . 1_556
H53 C45 3.3403 no . 1_556
H53 C188 3.5226 no . 1_656
H53 H18C 2.7821 no . 1_656
H53 H18D 3.4059 no . 1_656
H53 H45 2.8645 no . 1_556
H53 H179 3.0335 no . 1_656
H53 H180 3.3258 no . 1_656
H54 H41 3.4056 no . .
H55 C105 3.5603 no . 1_556
H55 H10D 2.9741 no . 1_556
H55 H10E 3.2329 no . 1_556
H55 H45 3.0244 no . 1_556
H56 C40 3.1473 no . .
H56 C41 3.2470 no . .
H56 H40 2.6031 no . .
H56 H41 2.8182 no . .
H57A O177 3.2653 no . 1_666
H57A C178 3.2307 no . 1_666
H57A H17J 3.0891 no . 1_666
H57A H17K 2.8721 no . 1_666
H57A H23I 3.3726 no . 1_666
H57A H40 3.3446 no . .
H57B O177 3.4594 no . 1_666
H57B C178 2.8964 no . 1_666
H57B H17J 2.3384 no . 1_666
H57B H17K 2.7091 no . 1_666
H57B H40 3.4581 no . .
H61A O216 3.4783 no . 1_556
H61A C217 2.9857 no . 1_556
H61A H21C 3.5235 no . 1_556
H61A H21D 3.5049 no . 1_556
H61A H21E 2.0366 no . 1_556
H61A H23F 3.1016 no . 1_556
H61A H45 3.2381 no . 1_556
H61B O185 2.7195 no . 1_656
H61B N8 3.0458 no . 1_556
H61B C179 3.0222 no . 1_656
H61B C180 3.5044 no . 1_656
H61B H19G 3.5089 no . 1_656
H61B H21E 3.3475 no . 1_556
H61B H23F 2.9590 no . 1_556
H61B H45 3.4289 no . 1_556
H61B H179 2.5569 no . 1_656
H61B H180 2.9465 no . 1_656
H61C O185 3.1314 no . 1_656
H61C H19G 2.9885 no . 1_656
H61C H19H 3.4055 no . 1_656
H61C H20D 3.4515 no . 1_656
H61C H20E 3.1697 no . 1_656
H61C H21E 2.7463 no . 1_556
H61C H23F 3.4120 no . 1_556
H61C H179 3.2832 no . 1_656
H63A C18 3.5617 no . .
H63A C36 3.3598 no . .
H63A H18 3.3637 no . .
H63A H21E 3.3863 no . 1_556
H63A H36 2.5691 no . .
H63B C18 3.4026 no . .
H63B C36 3.3563 no . .
H63B H18 2.8390 no . .
H63B H21H 3.1514 no . 1_556
H63B H35 3.4848 no . .
H63B H36 2.9362 no . .
H63C O216 3.0297 no . 1_556
H63C O218 3.0622 no . 1_556
H63C C35 3.4115 no . .
H63C C36 3.3100 no . .
H63C C217 3.3022 no . 1_556
H63C C219 2.8908 no . 1_556
H63C H21C 3.2918 no . 1_556
H63C H21E 3.0185 no . 1_556
H63C H21F 2.5537 no . 1_556
H63C H21H 2.7006 no . 1_556
H63C H35 2.8942 no . .
H63C H36 2.7235 no . .
H63C H45 3.4922 no . 1_556
H65A O177 2.8343 no . 1_666
H65A C156 3.2073 no . 1_666
H65A C170 3.2092 no . 1_666
H65A H15D 2.2548 no . 1_666
H65A H15E 3.4333 no . 1_666
H65A H16G 3.2103 no . 1_666
H65A H17A 2.9252 no . 1_666
H65A H17B 3.2164 no . 1_666
H65B C105 3.5843 no . 1_556
H65B C188 3.2570 no . 1_656
H65B H10D 2.8105 no . 1_556
H65B H15D 3.4227 no . 1_666
H65B H16G 3.4366 no . 1_666
H65B H18C 2.8332 no . 1_656
H65B H18D 3.5240 no . 1_656
H65B H18E 2.9303 no . 1_656
H65B H89B 3.5061 no . 1_556
H65C O104 2.5259 no . 1_556
H65C C105 2.9953 no . 1_556
H65C C170 3.5203 no . 1_666
H65C H10D 2.6254 no . 1_556
H65C H10E 3.3363 no . 1_556
H65C H15D 2.9031 no . 1_666
H65C H16G 2.9121 no . 1_666
H65C H17A 3.0944 no . 1_666
H65C H17B 3.2151 no . 1_666
H65C H89B 3.1684 no . 1_556
H65C H95 3.4350 no . 1_556
H66 N6 3.4464 no . 1_655
H66 C34 3.5861 no . 1_655
H66 H34 3.0103 no . 1_655
H66 H193 3.5261 no . 1_656
H67 O199 2.5820 no . 1_656
H67 C193 3.4625 no . 1_656
H67 C197 3.5064 no . 1_656
H67 C198 3.3690 no . 1_656
H67 H19H 2.6801 no . 1_656
H67 H193 3.3399 no . 1_656
H67 H194 3.4923 no . 1_656
H68 C41 3.2864 no . .
H68 H41 2.6026 no . .
H69 O199 3.3957 no . 1_656
H69 C196 3.3391 no . 1_656
H69 C197 3.5583 no . 1_656
H69 C198 3.4047 no . 1_656
H69 H19H 2.5928 no . 1_656
H69 H179 3.5019 no . 1_656
H69 H194 3.0940 no . 1_656
H69 H196 2.4740 no . 1_656
H70 C40 2.9937 no . .
H70 C41 3.1265 no . .
H70 H40 2.5546 no . .
H70 H41 2.8371 no . .
H71A H20A 3.5354 no . 1_656
H71A H23I 3.3511 no . 1_666
H71A H40 3.4908 no . .
H71B H23I 3.3648 no . 1_666
H71B H40 2.7972 no . .
H75A O206 3.2951 no . 1_656
H75A C121 3.5938 no . 1_545
H75A C207 3.4152 no . 1_656
H75A C221 3.5785 no . 1_656
H75A H12B 2.7822 no . 1_545
H75A H17H 3.5359 no . 1_655
H75A H19H 3.4343 no . 1_656
H75A H20D 2.9943 no . 1_656
H75A H20F 3.4292 no . 1_656
H75A H22A 2.7802 no . 1_656
H75A H22C 3.5843 no . 1_656
H75A H24D 3.3634 no . .
H75B O199 3.4988 no . 1_656
H75B C176 3.2806 no . 1_655
H75B H17F 3.0543 no . 1_655
H75B H17H 2.6270 no . 1_655
H75B H22A 3.3467 no . 1_656
H75C O173 3.5134 no . 1_655
H75C O250 3.2564 no . .
H75C C121 3.3253 no . 1_545
H75C C176 3.3196 no . 1_655
H75C H12A 3.3913 no . 1_545
H75C H12B 2.8372 no . 1_545
H75C H12C 3.2173 no . 1_545
H75C H17E 3.1847 no . 1_655
H75C H17F 2.8416 no . 1_655
H75C H17H 2.9692 no . 1_655
H77A O10 2.9537 no . .
H77A O250 3.0548 no . .
H77A H24C 3.0935 no . .
H77A H41 3.5915 no . .
H77B H41 3.1090 no . .
H77C C245 3.3496 no . .
H77C H16F 2.8057 no . .
H77C H20D 3.1310 no . 1_656
H77C H24C 2.4310 no . .
H77C H24D 3.5286 no . .
H79A C188 3.2330 no . 1_656
H79A H11C 3.4970 no . 1_656
H79A H18D 2.8534 no . 1_656
H79A H18E 2.8026 no . 1_656
H79A H24A 3.5657 no . 1_666
H79B C241 3.4599 no . 1_666
H79B C249 3.2514 no . 1_666
H79B H11C 3.0531 no . 1_656
H79B H20A 3.0589 no . 1_656
H79B H24A 2.8316 no . 1_666
H79B H24B 3.3630 no . 1_666
H79B H24I 3.1911 no . 1_666
H79B H24J 2.5389 no . 1_666
H79C O203 2.5565 no . 1_656
H79C C117 3.3162 no . 1_656
H79C C188 3.2155 no . 1_656
H79C C195 3.5788 no . 1_656
H79C C205 3.3372 no . 1_656
H79C H11C 2.6852 no . 1_656
H79C H11E 3.0750 no . 1_656
H79C H18D 2.7206 no . 1_656
H79C H18E 2.8268 no . 1_656
H79C H20A 3.1515 no . 1_656
H79C H24J 3.1011 no . 1_666
H79C H194 3.2296 no . 1_656
H80 C164 3.2487 no . 1_665
H80 H16G 3.2020 no . 1_665
H80 H16H 2.8144 no . 1_665
H80 H16I 3.1965 no . 1_665
H81 C131 2.7142 no . 1_655
H81 C132 3.0529 no . 1_655
H81 H19C 3.0919 no . 1_655
H81 H34 3.3644 no . 1_655
H82 C23 2.9438 no . .
H82 C24 2.9074 no . .
H82 H23 2.7052 no . .
H82 H24 2.6265 no . .
H83 C131 3.2231 no . 1_655
H83 C132 3.1813 no . 1_655
H83 H14H 3.5598 no . 1_655
H83 H34 2.9026 no . 1_655
H84 C23 3.5790 no . .
H84 C40 3.5974 no . .
H84 H23 2.7046 no . .
H85A C235 3.2645 no . 1_666
H85A H22E 3.0381 no . 1_666
H85A H23G 2.3856 no . 1_666
H85A H23I 3.5882 no . 1_666
H85B C40 3.5909 no . .
H85B H23G 3.0284 no . 1_666
H85B H23I 3.5768 no . 1_666
H85B H40 3.2950 no . .
H89A O187 3.2883 no . 1_655
H89A O189 3.5262 no . 1_655
H89A C188 3.5109 no . 1_655
H89A C190 3.2415 no . 1_655
H89A H13C 3.4356 no . 1_655
H89A H16G 3.3635 no . 1_665
H89A H16I 3.3445 no . 1_665
H89A H18C 3.5157 no . 1_655
H89A H18E 3.1520 no . 1_655
H89A H19A 3.0270 no . 1_655
H89A H19C 2.8012 no . 1_655
H89B C164 3.2764 no . 1_665
H89B H16G 2.6052 no . 1_665
H89B H16H 3.4991 no . 1_665
H89B H16I 3.2602 no . 1_665
H89B H18C 3.3863 no . 1_655
H89B H18E 3.2672 no . 1_655
H89B H65B 3.5061 no . 1_554
H89B H65C 3.1684 no . 1_554
H89C O187 2.8427 no . 1_655
H89C O189 3.2337 no . 1_655
H89C N8 3.4650 no . .
H89C C44 3.2634 no . .
H89C C180 3.3901 no . 1_655
H89C C188 2.8228 no . 1_655
H89C H18C 2.4247 no . 1_655
H89C H18E 2.8156 no . 1_655
H89C H19A 3.5885 no . 1_655
H89C H19C 3.3570 no . 1_655
H89C H44 2.9585 no . .
H89C H180 2.9735 no . 1_655
H91A O173 3.4953 no . 1_655
H91A O189 2.9072 no . 1_655
H91A C43 3.0136 no . .
H91A C44 3.0771 no . .
H91A C174 3.4664 no . 1_655
H91A C190 3.0799 no . 1_655
H91A H17D 3.5484 no . 1_655
H91A H17E 2.8957 no . 1_655
H91A H19B 3.5410 no . 1_655
H91A H19C 2.4465 no . 1_655
H91A H24 3.4790 no . .
H91A H43 2.4848 no . .
H91A H44 2.5758 no . .
H91B O250 2.4772 no . .
H91B C24 3.5674 no . .
H91B C43 3.3841 no . .
H91B H17E 2.7466 no . 1_655
H91B H24 3.3681 no . .
H91B H43 2.5496 no . .
H91C O173 2.6490 no . 1_655
H91C O189 3.4406 no . 1_655
H91C C174 2.9907 no . 1_655
H91C C176 3.4028 no . 1_655
H91C C190 3.2848 no . 1_655
H91C H17D 3.4823 no . 1_655
H91C H17E 2.4639 no . 1_655
H91C H17F 2.4482 no . 1_655
H91C H19B 3.2954 no . 1_655
H91C H19C 2.7153 no . 1_655
H91C H34 3.2157 no . 1_655
H91C H43 3.3758 no . .
H93A H14H 3.1143 no . 1_655
H93A H20A 3.1327 no . 1_656
H93A H24I 2.9161 no . 1_666
H93B O228 3.1400 no . 1_666
H93B O234 2.9855 no . 1_666
H93B C227 3.0757 no . 1_666
H93B C235 3.5162 no . 1_666
H93B H22E 2.4506 no . 1_666
H93B H23G 3.1445 no . 1_666
H93B H24I 3.3889 no . 1_666
H93C O147 2.7329 no . 1_655
H93C C132 3.5132 no . 1_655
H93C C148 3.1733 no . 1_655
H93C H14H 2.6576 no . 1_655
H93C H24I 3.1855 no . 1_666
H93C H122 3.5040 no . 1_655
H95 H17A 3.4041 no . 1_665
H95 H17B 3.1809 no . 1_665
H95 H65C 3.4350 no . 1_554
H95 H168 2.9379 no . 1_665
H96 C23 3.3540 no . .
H96 C24 3.1418 no . .
H96 H23 3.2080 no . .
H96 H24 2.7881 no . .
H97 H16H 3.2165 no . 1_665
H98 C38 3.0167 no . .
H98 C39 2.8545 no . .
H98 H23 2.8752 no . .
H98 H38 2.9350 no . .
H98 H39 2.6350 no . .
H99A C39 3.4324 no . .
H99A C221 3.2955 no . 1_666
H99A H21A 3.3647 no . 1_666
H99A H22B 2.5142 no . 1_666
H99A H22C 3.4476 no . 1_666
H99A H39 2.9002 no . .
H99B N7 3.5497 no . .
H99B C39 3.5399 no . .
H99B H23G 3.4145 no . 1_666
H99B H39 3.4207 no . .
H108 O163 3.1083 no . 1_565
H108 O242 2.6266 no . 1_565
H108 C236 3.0544 no . 1_565
H108 H154 3.5493 no . 1_565
H108 H236 2.5226 no . 1_565
H109 O242 2.9288 no . 1_565
H109 O248 2.3924 no . 1_565
H109 C240 3.5609 no . 1_565
H109 C241 3.1936 no . 1_565
H109 C249 3.0532 no . 1_565
H109 H24A 3.1603 no . 1_565
H109 H24J 3.0161 no . 1_565
H109 H24K 3.1254 no . 1_565
H110 C38 3.3938 no . .
H110 H38 2.4573 no . .
H112 C38 3.1118 no . .
H112 C39 3.2844 no . .
H112 H38 2.4437 no . .
H112 H39 2.7560 no . .
H122 H93C 3.5040 no . 1_455
H123 H16I 2.9813 no . 1_565
H124 C18 3.1462 no . .
H124 C19 2.9607 no . .
H124 C20 3.5177 no . .
H124 H18 3.3606 no . .
H124 H19 3.0291 no . .
H125 O163 3.3104 no . 1_565
H125 H16I 3.2524 no . 1_565
H125 H154 3.4962 no . 1_565
H125 H236 3.2952 no . 1_565
H137 O102 3.5939 no . 1_556
H137 C103 3.3294 no . 1_556
H137 H10A 2.9994 no . 1_556
H137 H10C 3.0025 no . 1_556
H137 H10E 3.2588 no . 1_556
H138 H10C 2.7596 no . 1_556
H139 C18 3.3136 no . .
H139 H18 2.5852 no . .
H139 H19 3.2657 no . .
H140 H19D 3.5849 no . 1_666
H141 C19 3.4765 no . .
H141 H19 2.5752 no . .
H151 O106 3.1480 no . 1_445
H151 H10I 3.4455 no . 1_445
H152 C107 3.5799 no . 1_445
H152 H10I 2.7638 no . 1_445
H152 H13F 3.2938 no . 1_545
H153 C12 3.5874 no . .
H153 C13 2.9079 no . .
H153 C14 2.9887 no . .
H153 H13 2.9745 no . .
H153 H14 3.1119 no . .
H153 H48 3.5801 no . .
H154 O135 3.4135 no . 1_545
H154 H13F 3.0661 no . 1_545
H154 H108 3.5493 no . 1_545
H154 H125 3.4962 no . 1_545
H155 C48 3.5265 no . .
H155 H48 3.0717 no . .
H155 H49 3.3261 no . .
H165 O230 3.5355 no . 1_455
H165 C231 3.2551 no . 1_455
H165 H23A 3.3949 no . 1_455
H165 H23C 2.5265 no . 1_455
H166 C121 3.2921 no . 1_445
H166 C231 3.5677 no . 1_455
H166 H10B 3.3128 no . 1_445
H166 H12A 2.9315 no . 1_445
H166 H12C 2.7984 no . 1_445
H166 H23C 2.5935 no . 1_455
H167 C13 3.4668 no . .
H167 C14 3.3020 no . .
H167 H13 3.0319 no . .
H167 H14 2.6698 no . .
H168 H95 2.9379 no . 1_445
H169 C13 3.5691 no . .
H169 H13 2.6347 no . .
H179 O60 3.0015 no . 1_454
H179 C52 3.3299 no . 1_454
H179 C53 3.3176 no . 1_454
H179 C61 3.0920 no . 1_454
H179 H52 2.5363 no . 1_454
H179 H53 3.0335 no . 1_454
H179 H61B 2.5569 no . 1_454
H179 H61C 3.2832 no . 1_454
H179 H69 3.5019 no . 1_454
H180 N8 2.7725 no . 1_455
H180 C44 2.9420 no . 1_455
H180 H44 2.4268 no . 1_455
H180 H53 3.3258 no . 1_454
H180 H61B 2.9465 no . 1_454
H180 H89C 2.9735 no . 1_455
H181 O251 2.9470 no . .
H181 H13 3.4229 no . .
H181 H51 3.5149 no . .
H182 C44 3.5113 no . 1_455
H182 H23D 3.4883 no . 1_455
H182 H23F 3.5168 no . 1_455
H182 H44 2.8423 no . 1_455
H183 C50 3.0019 no . .
H183 C51 3.1940 no . .
H183 H50 2.7085 no . .
H183 H51 3.0562 no . .
H193 N6 3.4488 no . 1_554
H193 H35 3.4356 no . 1_554
H193 H66 3.5261 no . 1_454
H193 H67 3.3399 no . 1_454
H194 O72 2.9914 no . 1_454
H194 O78 2.6164 no . 1_454
H194 C71 3.5604 no . 1_454
H194 C79 3.4294 no . 1_454
H194 H67 3.4923 no . 1_454
H194 H69 3.0940 no . 1_454
H194 H79C 3.2296 no . 1_454
H195 C51 3.1411 no . .
H195 H51 2.2817 no . .
H196 O78 3.0793 no . 1_454
H196 C52 3.5903 no . 1_454
H196 C69 3.4546 no . 1_454
H196 H52 2.6189 no . 1_454
H196 H69 2.4740 no . 1_454
H197 C50 3.1830 no . .
H197 C51 3.4845 no . .
H197 H50 2.4124 no . .
H197 H51 3.0532 no . .
H208 H10H 3.1793 no . 1_444
H208 H10I 3.4558 no . 1_444
H208 H16A 2.8670 no . 1_554
H209 C35 3.5062 no . 1_554
H209 C160 2.8718 no . 1_554
H209 H16A 2.4206 no . 1_554
H209 H16C 2.4748 no . 1_554
H209 H35 2.7754 no . 1_554
H210 C28 3.1232 no . .
H210 C29 3.1318 no . .
H210 H28 2.7024 no . .
H210 H29 2.7180 no . .
H211 C35 3.5497 no . 1_554
H211 H16C 2.9534 no . 1_554
H211 H35 2.9262 no . 1_554
H212 C50 3.2141 no . .
H212 H29 3.1306 no . .
H212 H50 3.1074 no . .
H223 C192 3.5347 no . 1_655
H223 H19D 3.4806 no . 1_655
H223 H19F 2.7388 no . 1_655
H224 C28 3.3446 no . .
H224 C29 3.4701 no . .
H224 H28 3.0194 no . .
H224 H29 3.2764 no . .
H226 C48 3.3548 no . .
H226 C49 3.1747 no . .
H226 H29 3.0716 no . .
H226 H48 3.5559 no . .
H226 H49 3.2643 no . .
H236 O114 2.8861 no . 1_545
H236 O135 2.8558 no . 1_545
H236 C108 3.1604 no . 1_545
H236 H13F 3.4772 no . 1_545
H236 H108 2.5226 no . 1_545
H236 H125 3.2952 no . 1_545
H237 O114 2.8197 no . 1_545
H237 O120 2.6674 no . 1_545
H237 C113 3.3360 no . 1_545
H237 C121 3.2790 no . 1_545
H237 H11A 3.2186 no . 1_545
H237 H12B 3.2135 no . 1_545
H237 H12C 3.3009 no . 1_545
H238 C48 3.4083 no . .
H238 H48 2.6373 no . .
H239 O120 3.5554 no . 1_545
H240 C48 3.1797 no . .
H240 C49 3.3347 no . .
H240 H48 2.5177 no . .
H240 H49 2.8135 no . .

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
